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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR3 known ✓ | P32745 | 2/20 | 0.38 |
| ▸ | REN | P00797 | 12/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL662625 | 0.93 | KCNH2 (0.40) | RENKCNH2TSHRKDM4ECYP3A4 | |
| SCHEMBL662524 | 0.88 | POLB (0.42) | TSHRKDM4ECYP3A4KMT2A | |
| SCHEMBL660901 | 0.85 | REN (0.41) | RENKCNH2KDM4ECYP3A4KMT2A | |
| Acetic Acid SCHEMBL3038282 | 0.84 | EPHX2 (0.45) | KMT2A | |
| SCHEMBL10186629 | 0.83 | KDM4E (0.39) | RENKCNH2TSHRKDM4EMAPK1 | |
| SCHEMBL1751401 | 0.82 | REN (0.43) | RENKCNH2TSHRKDM4EMAPK1 | |
| SCHEMBL1751663 | 0.82 | TSHR (0.47) | RENTSHRKDM4EMAPK1KMT2A | |
| SCHEMBL1751304 | 0.81 | KDM4E (0.48) | RENTSHRKDM4EMAPK1CYP3A4 | |
| SCHEMBL1751524 | 0.80 | TSHR (0.61) | RENKCNH2TSHRSSTR3CYP3A4 | |
| SCHEMBL4705517 | 0.80 | KDM4E (0.41) | TSHRKDM4EMAPK1KMT2A |
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 |