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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP14 | P50281 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9746111 | 0.92 | TP53 (0.41) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| SCHEMBL7295223 | 0.92 | TP53 (0.41) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| SCHEMBL7304692 | 0.92 | TP53 (0.41) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| SCHEMBL7319672 | 0.92 | TP53 (0.41) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| Hydrochloric Acid SCHEMBL9823332 | 0.90 | KDM4E (0.42) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| Hydrochloric Acid SCHEMBL9822844 | 0.90 | KDM4E (0.42) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| SCHEMBL7317494 | 0.79 | TP53 (0.42) | RENEPHX1TP53KDM4EGMNN | |
| SCHEMBL13995102 | 0.78 | EPHX1 (0.41) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| SCHEMBL13995101 | 0.78 | EPHX1 (0.41) | ALDH1A1EPHX1TP53MMP1MMP9 | |
| Acetic Acid SCHEMBL10789084 | 0.77 | REN (0.41) | REN |
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 |
|---|---|---|---|---|---|---|---|
| US-5091575-A | Renin inhibitor | ABBOTT LABORATORIES (US) | 1992-02-25 | — | — | US | disclosed |
| US-5036051-A | Renin inhibitors | ABBOTT LABORATORIES (US) | 1991-07-30 | — | — | US | disclosed |