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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2635570 | 0.96 | EPHX2 (0.47) | EPHX2ALDH1A1SMN1; SMN2NPC1PKM | |
| Hydrochloric Acid SCHEMBL4685679 | 0.95 | EPHX2 (0.47) | EPHX2ALDH1A1SMN1; SMN2NPC1PKM | |
| SCHEMBL2634890 | 0.90 | EPHX2 (0.46) | EPHX2ALDH1A1SMN1; SMN2NPC1PKM | |
| Acetic Acid SCHEMBL3038286 | 0.84 | REN (0.40) | KMT2A | |
| SCHEMBL2635460 | 0.82 | KDM4E (0.47) | EPHX2ALDH1A1HPGDKMT2ATP53 | |
| SCHEMBL2635463 | 0.81 | ERCC1 (0.55) | EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A | |
| SCHEMBL3088347 | 0.81 | EPHX2 (0.47) | EPHX2ALDH1A1PKMTP53GAA | |
| SCHEMBL2635473 | 0.81 | EPHX2 (0.51) | EPHX2ALDH1A1SMN1; SMN2NPC1PKM | |
| Hydrochloric Acid SCHEMBL4682675 | 0.80 | EPHX2 (0.50) | EPHX2ALDH1A1SMN1; SMN2NPC1PKM | |
| SCHEMBL3093689 | 0.79 | EPHX2 (0.49) | EPHX2ALDH1A1PKMHPGDKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010011584-A2 | PROCESS FOR MAKING A RENIN INHIBITOR | MERCK & CO., INC. (US) | 2010-01-28 | — | — | WO | claimed |
| WO-2010011584-A3 | PROCESS FOR MAKING A RENIN INHIBITOR AND RELATED INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2010-07-29 | — | — | WO | disclosed |
| WO-2010011584-A2 | PROCESS FOR MAKING A RENIN INHIBITOR | MERCK & CO., INC. (US) | 2010-01-28 | — | — | WO | disclosed |