Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9193218 | 0.93 | HSD17B10 (0.95) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL3873222 | 0.93 | HSD17B10 (0.95) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL15935 | 0.93 | HSD17B10 (0.95) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL20564592 | 0.93 | HSD17B10 (0.95) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL24368139 | 0.91 | HSD17B10 (0.91) | HSD17B10KDM4EALOX15TSHRGLA | |
| Hydrochloric Acid SCHEMBL1128463 | 0.91 | HSD17B10 (0.91) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL5762765 | 0.91 | HSD17B10 (0.91) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL15572215 | 0.91 | HSD17B10 (0.91) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL936468 | 0.91 | HSD17B10 (0.91) | HSD17B10KDM4EALOX15TSHRGLA | |
| SCHEMBL6858111 | 0.91 | HSD17B10 (1.00) | HSD17B10KDM4EALOX15TSHRGLA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0330925-A2 | Renin-inhibiting amino acid derivatives | MERCK PATENT GmbH (DE) | 1989-09-06 | — | — | EP | disclosed |