Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 1,4-Butanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,3-Propanediol SCHEMBL923061 | 0.94 | TSHR (0.35) | TSHRMEN1ALDH1A1KMT2ACA2 | |
| Ethylene Glycol SCHEMBL924015 | 0.88 | TSHR (0.39) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| SCHEMBL921710 | 0.80 | RECQL (0.42) | TSHRALDH1A1CA2RECQLGLA | |
| Di(Hydroxyethyl)Ether SCHEMBL30327411 | 0.79 | TSHR (0.50) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Sodium Pyrosulfate SCHEMBL123783 | 0.78 | TSHR (0.43) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| SCHEMBL11863747 | 0.78 | TSHR (0.43) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| SCHEMBL923059 | 0.77 | RECQL (0.39) | TSHRALDH1A1CA2RECQLGLA | |
| 1,4-Butanediol SCHEMBL27449357 | 0.76 | TP53 (0.47) | TSHRMEN1ALDH1A1KMT2ACA2 | |
| Sulfuric Acid SCHEMBL27276241 | 0.76 | MEN1 (0.53) | TSHRMEN1ALDH1A1KMT2ACA2 | |
| SCHEMBL28417373 | 0.75 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110002875-A1 | METHOD FOR TREATING AMYLOIDOSIS | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2011-01-06 | — | — | US | disclosed |
| US-7754761-B2 | Sulfonated compounds and compositions for treating amyloidosis | BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) | 2010-07-13 | — | — | US | disclosed |
| US-20070265334-A1 | Method for treating amyloidosis | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2007-11-15 | — | — | US | disclosed |
| US-20060167095-A1 | Method for treating amyloidosis | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2006-07-27 | — | — | US | disclosed |
| EP-1614432-A2 | Method for treating amyloidosis | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2006-01-11 | — | — | EP | disclosed |
| EP-0814842-B1 | METHOD FOR TREATING AMYLOIDOSIS | UNIV KINGSTON (CA) | 2005-10-12 | — | — | EP | disclosed |
| US-20040208875-A1 | Method for treating amyloidosis | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2004-10-21 | — | — | US | disclosed |
| US-20030108595-A1 | Method for treating amyloidosis | QUEEN'S UNIVERSITY AT KINGSTON | 2003-06-12 | — | — | US | disclosed |
| US-20010048941-A1 | Method for treating amyloidosis | QUEEN'S UNIVERSITY OF KINGSTON | 2001-12-06 | — | — | US | disclosed |
| US-5972328-A | INHIBITING AMYLOID DEPOSITION BY ADMINISTERING GLYCEROL TRISULFURIC ACID OR PHARMACEUTICALLY ACCEPTABLE SALT | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1999-10-26 | — | — | US | disclosed |
| US-5858326-A | CONTACTING AMYLOIDOGENIC PEPTIDE WITH AMYLOID-ENHANCING COMPOUND COMPRISING AROMATIC MOIETY AND AT LEAST TWO ANIONIC MOIETIES IN VITRO TO FORM AMYLOID FIBRILS | NEUROCHEM, INC. (CA) | 1999-01-12 | — | — | US | disclosed |
| US-5840294-A | INHIBITING AMYLOID DEPOSITION BY ADMINISTERING A THERAPEUTIC COMPOUND COMPRISING AN ANIONIC GROUP AND A CARRIER MOLECULE | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1998-11-24 | — | — | US | disclosed |
| US-5728375-A | ADMINISTERING A COMPOUND COMPRISING AN ANIONIC GROUP AND A CARRIER MOLECULE; INHIBITS DEPOSITION BY PREVENTING INTERACTION BETWEEN AN AMYLOIDOGENIC PROTEIN AND A BASEMENT MEMBRANE CONSTITUENT | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 1998-03-17 | — | — | US | disclosed |
| US-5643562-A | ANTIDEPOSIT AGENTS FOR PROTEINS FOR MEDICAL DIAGNOSIS OF DISEASES | QUEEN'S UNIVERSITY OF KINGSTON (CA) | 1997-07-01 | — | — | US | 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 (6 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-20060167095-A1 | Method for treating amyloidosis | TTR, IAPP, APP | CA2 716/4885TSHR 3807/4885MEN1 2028/4885 |
| US-20070265334-A1 | Method for treating amyloidosis | TTR, IAPP, APP | CA2 716/4885TSHR 3807/4885MEN1 2028/4885 |
| US-20030108595-A1 | Method for treating amyloidosis | TTR, IAPP, APP | CA2 716/4885TSHR 3807/4885MEN1 2028/4885 |
| US-20010048941-A1 | Method for treating amyloidosis | TTR, APOB, NEFM | CA2 821/4885TSHR 3883/4885MEN1 2252/4885 |
| US-20040208875-A1 | Method for treating amyloidosis | TTR, IAPP, APP | CA2 716/4885TSHR 3807/4885MEN1 2028/4885 |
| US-20110002875-A1 | METHOD FOR TREATING AMYLOIDOSIS | TTR, IAPP, APP | CA2 716/4885TSHR 3807/4885MEN1 2028/4885 |
“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.