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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 18/20 | 0.74 |
| ▸ | METAP2 | P50579 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9575598 | 0.97 | REN (0.79) | RENMETAP2BCHE | |
| SCHEMBL14415355 | 0.97 | REN (0.79) | RENMETAP2BCHE | |
| SCHEMBL7296545 | 0.97 | REN (0.79) | RENMETAP2BCHE | |
| SCHEMBL7284318 | 0.97 | REN (0.79) | RENMETAP2BCHE | |
| SCHEMBL7323798 | 0.97 | REN (0.79) | RENMETAP2BCHE | |
| SCHEMBL9858453 | 0.97 | REN (0.79) | RENMETAP2BCHE | |
| Hydrochloric Acid SCHEMBL7343870 | 0.96 | REN (0.77) | RENMETAP2BCHE | |
| SCHEMBL9575444 | 0.96 | REN (0.77) | RENMETAP2BCHE | |
| SCHEMBL9858183 | 0.96 | REN (0.77) | RENMETAP2BCHE | |
| SCHEMBL9858465 | 0.86 | REN (0.62) | RENMETAP2BCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992007845-A1 | DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-05-14 | — | — | WO | disclosed |
| EP-0483403-A1 | Derivatives of amino acids as inhibitors of renin, methods for their preparation, medicaments containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-05-06 | — | — | EP | disclosed |