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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 3/20 | 0.45 |
| ▸ | METAP2 | P50579 | 6/20 | 0.42 |
| ▸ | METAP1 | P53582 | 4/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7284052 | 0.96 | REN (0.47) | RENMETAP2METAP1CPB2EPHX1 | |
| Acetic Acid SCHEMBL7294621 | 0.82 | REN (0.46) | RENMETAP2METAP1CPB2EPHX1 | |
| SCHEMBL7281935 | 0.82 | CTSK (0.40) | RENMETAP2METAP1CPB2EPHX1 | |
| SCHEMBL7281939 | 0.82 | REN (0.42) | RENMETAP2METAP1CPB2EPHX1 | |
| Acetic Acid SCHEMBL7274782 | 0.79 | REN (0.49) | RENMETAP2METAP1 | |
| Acetic Acid SCHEMBL7397604 | 0.79 | REN (0.49) | RENMETAP2METAP1 | |
| Acetic Acid SCHEMBL7300070 | 0.78 | REN (0.49) | RENMETAP2METAP1 | |
| SCHEMBL10408931 | 0.78 | CTSD (0.49) | RENMETAP2METAP1CPB2 | |
| SCHEMBL7271640 | 0.78 | CTSD (0.49) | RENMETAP2METAP1CPB2 | |
| Acetic Acid SCHEMBL7284468 | 0.75 | REN (0.44) | RENMETAP2METAP1LTA4H |
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 |