Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.96 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.74 |
| ▸ | ADH5 | P11766 | 2/20 | 0.65 |
| ▸ | PORCN | Q9H237 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.58 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.58 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.58 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.58 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6660795 | 0.98 | MEN1 (1.00) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| SCHEMBL2533488 | 0.90 | TSHR (0.84) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| SCHEMBL28518810 | 0.87 | TSHR (0.80) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| SCHEMBL28572495 | 0.86 | MEN1 (0.77) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| SCHEMBL451 | 0.86 | CYP3A4 (1.00) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| Ether SCHEMBL6337288 | 0.85 | MEN1 (0.76) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| SCHEMBL7010266 | 0.84 | MEN1 (0.75) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| Ammonia Solution, Strong SCHEMBL3848736 | 0.84 | CYP3A4 (0.95) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| Bromide SCHEMBL1954236 | 0.84 | CYP3A4 (0.95) | MEN1KMT2AALOX15TSHRCYP3A4 | |
| SCHEMBL14157261 | 0.84 | CYP3A4 (0.95) | MEN1KMT2AALOX15TSHRCYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6849732-B2 | Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation | AGOURON PHARMACEUTICALS, INC. (US) | 2005-02-01 | — | — | US | disclosed |
| EP-1095936-B1 | Intermediates useful for the preparation of metallproteinase inhibitors | AGOURON PHARMA (US) | 2004-11-24 | — | — | EP | disclosed |
| US-20030130506-A1 | Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation | AGOURON PHARMACEUTICALS, INC. (US) | 2003-07-10 | — | — | US | disclosed |
| US-6500948-B1 | SUCH AS N-HYDROXY-4-(4-((PYRID-4-YL)OXY)BENZENESULFONYL)-2,2-DIMETHYL-TETRAHYDRO-2H -1,4-THIAZINE-3-CARBOXYLIC ACID | AGOURON PHARMACEUTICALS, INC. | 2002-12-31 | — | — | US | disclosed |
| EP-1095936-A1 | Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation | AGOURON PHARMACEUTICALS, INC. (US) | 2001-05-02 | — | — | EP | disclosed |
| US-6153757-A | A PRODRUG, SALT OR SOLVATE AS ANTITUMOR AGENT AND ENZYME INHIBITOR FOR INHIBITING METALLOPROTEINASES, TUMOR NECROSIS FACTOR | AGOURON PHARMACEUTICALS, INC. (US) | 2000-11-28 | — | — | US | disclosed |
| EP-0874830-A1 | METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997020824-A1 | METALLOPROTEINASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PHARMACEUTICAL USES, AND METHODS AND INTERMEDIATES USEFUL FOR THEIR PREPARATION | AGOURON PHARMACEUTICALS, INC. (US) | 1997-06-12 | — | — | WO | 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 (1 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-20030130506-A1 | Metalloproteinase inhibitors, pharmaceutical compositions containing them and their pharmaceutical uses, and methods and intermediates useful for their preparation | MMP9, MMP3, MMP2 | MEN1 2595/4885KMT2A 2245/4885ALOX15 522/4885 |
“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.