Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL130983 | 0.96 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTHPGDRAB9A | |
| Hydrochloric Acid SCHEMBL28144653 | 0.95 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPTHPGDRAB9A | |
| SCHEMBL30708584 | 0.95 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPTHPGDRAB9A | |
| Hydrochloric Acid SCHEMBL28323474 | 0.95 | ALDH1A1 (0.40) | ALDH1A1LMNAMAPTHPGDRAB9A | |
| Formaldehyde SCHEMBL8445296 | 0.93 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTHPGDRAB9A | |
| Tetrahydrofuran SCHEMBL10818635 | 0.90 | LMNA (0.37) | ALDH1A1LMNAMAPTHPGDRAB9A | |
| SCHEMBL2586827 | 0.82 | — | — | |
| SCHEMBL3691589 | 0.82 | TSHR (0.41) | ALDH1A1LMNAMAPTHPGDRAB9A | |
| SCHEMBL28470804 | 0.82 | ALDH1A1 (0.44) | ALDH1A1LMNAHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL15475543 | 0.80 | L3MBTL1 (0.39) | ALDH1A1LMNAMAPTHPGDRAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240886-A1 | PROCESS FOR PRODUCING CARBAPENEM COMPOUND | KANEKA CORPORATION (JP) | 2010-09-23 | — | — | US | disclosed |
| EP-2006290-A1 | IMPROVED PROCESS FOR PRODUCING CARBAPENEM COMPOUND | Kaneka Corporation (JP) | 2008-12-24 | — | — | EP | disclosed |
| US-6649756-B2 | Hydrogenating 4-nitrobenzyl(4R,5S,6S)-6-((1R)-1-hydroxyethyl) -4-methyl-3-(((2R,3R)-2-((((2S)-3-methyl-2-((((4-nitrobenzyl) oxy)carbonyl)amino)butanoyl)amino)methyl)-tetrahydrofuran-3-yl )-thio)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate | WYETH, FIVE GIRALDA FARMS | 2003-11-18 | — | — | US | disclosed |
| EP-1351960-A1 | IMPROVED PREPARATION OF (4R, 5S, 6S)-3-[[(2R,3R)-2-[[[(S)-2-AMINO-3-METHYL-1-OXOBUTYL]METHYL]TETRAHYDRO-3-FURANYL]THIO]-6-[(R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID | Wyeth (US) | 2003-10-15 | — | — | EP | disclosed |
| US-20020128283-A1 | Process improvement in the preparation of (4R, 5S, 6S)-3-[[(2R,3R)-2-[[[(S)-2-amino-3-methyl-1-oxobutyl]amino]methyl]tetrahydro-3-furanyl]thio]-6-[(R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | AMERICAN HOME PRODUCTS CORPORATION (US) | 2002-09-12 | — | — | US | disclosed |
| WO-2002006283-A1 | IMPROVED PREPARATION OF (4R, 5S, 6S)-3-(((2R,3R)-2-((((S)-2-AMINO-3-METHYL-1-OXOBUTYL)METHYL)TETRAHYDRO-3-FURANYL)THIO)-6-((R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID | WYETH (US) | 2002-01-24 | — | — | WO | disclosed |
| EP-0717042-B1 | Process for preparing 1-(4,5-Dihydro-2-thiazolyle)-3-azetidine thiol derivatives | WYETH LEDERLE JAPAN LTD (JP) | 2001-05-23 | — | — | EP | disclosed |
| US-5783703-A | CARBAPENEM INTERMEDIATES | LEDERLE (JAPAN), LTD. (JP) | 1998-07-21 | — | — | US | disclosed |
| US-5659043-A | BACTERICIDES | LEDERLE (JAPAN) LTD. (JP) | 1997-08-19 | — | — | US | disclosed |
| EP-0717042-A1 | 1-(4,5-Dihydro-2-thiazolyle)-3-azetidine thiol derivatives | LEDERLE (JAPAN), Ltd. (JP) | 1996-06-19 | — | — | EP | disclosed |
| EP-0289801-B1 | (1R,5S,6S)-2-(substituted thio)-6-[(R)-1-hydroxy-ethyl]-1-methyl-carbapenem-3-carboxylic-acid derivatives | LEDERLE (JAPAN) LTD. (JP) | 1990-11-07 | — | — | EP | disclosed |
| EP-0358085-A1 | (1R,5S,6S)-6-[(R)-1-Hydroxyethyl]-1-methyl-2-[(1-alkyl-1,2,4-triazolium-2-yl)alkyl]-thio-carbapenem-3-carboxylic acid derivatives | LEDERLE (JAPAN) LTD. (JP) | 1990-03-14 | — | — | EP | disclosed |
| EP-0071908-B1 | 1-, AND 1,1-DISUBSTITUTED-6-SUBSTITUTED-2-CARBAMIMIDOYL-1-CARBADETHIAPEN-2-EM-3-CARBOXYLIC ACIDS, A PROCESS FOR PREPARING AND AN ANTIBIOTIC COMPOSITION CONTAINING THE SAME | MERCK & CO. INC. (US) | 1989-09-27 | — | — | EP | disclosed |
| EP-0050334-B1 | 2-CARBAMIMIDOYL-6-SUBSTITUTED-1-CARBADETHIAPEN-2-EM-3-CARBOXYLIC ACIDS, A PROCESS FOR PREPARING AND AN ANTIBIOTIC COMPOSITION COMPRISING THE SAME | MERCK & CO. INC. (US) | 1987-06-10 | — | — | EP | disclosed |
| EP-0160876-A1 | 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids | MERCK & CO. INC. (US) | 1985-11-13 | — | — | EP | disclosed |
| EP-0071908-A1 | 1-, and 1,1-disubstituted-6-substituted-2-carbamimidoyl-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition containing the same | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | disclosed |
| EP-0050334-A1 | 2-Carbamimidoyl-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition comprising the same | MERCK & CO. INC. (US) | 1982-04-28 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100240886-A1 | PROCESS FOR PRODUCING CARBAPENEM COMPOUND | HPD, DHPS, TET1 | CA12 3925/4885ALDH1A1 510/4885LMNA 3637/4885 |
| US-20020128283-A1 | Process improvement in the preparation of (4R, 5S, 6S)-3-[[(2R,3R)-2-[[[(S)-2-amino-3-methyl-1-oxobutyl]amino]methyl]tetrahydro-3-furanyl]thio]-6-[(R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | TET1, TET3, SPOUT1 | CA12 4335/4885ALDH1A1 1274/4885LMNA 4038/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.