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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 6/20 | 0.67 |
| ▸ | REN | P00797 | 4/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | F2 | P00734 | 1/20 | 0.67 |
| ▸ | LTA4H | P09960 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | PEPD | P12955 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.67 |
| ▸ | HRH1 | P35367 | 1/20 | 0.67 |
| ▸ | THPO | P40225 | 1/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.67 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11338123 | 1.00 | ACE (0.67) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL11563443 | 0.95 | ACE (0.68) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL3919811 | 0.95 | ACE (0.68) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL9052964 | 0.95 | ACE (0.68) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL11331490 | 0.95 | ACE (0.68) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL30248996 | 0.90 | ACE (0.61) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL8344931 | 0.86 | ACE (0.54) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL29615405 | 0.85 | ACE (0.61) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL8602483 | 0.83 | DPP4 (0.61) | ACERENLMNAHSD17B10KDM4E | |
| SCHEMBL8602481 | 0.83 | DPP4 (0.61) | ACERENLMNAHSD17B10KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4284780-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1981-08-18 | — | — | US | disclosed |
| US-4284779-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1981-08-18 | — | — | US | disclosed |
| US-4179434-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-12-18 | — | — | US | disclosed |
| US-4177277-A | INHIBITION OF ANGIOTENSIN-CONVERTING ENZYME | E. R. SQUIBB & SONS, INC. (US) | 1979-12-04 | — | — | US | disclosed |
| US-4165320-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-08-21 | — | — | US | disclosed |
| US-4156786-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-05-29 | — | — | US | disclosed |
| US-4154946-A | Amino mercapto substituted acylamino acids | E. R. SQUIBB & SONS, INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4154960-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1979-05-15 | — | — | US | disclosed |
| US-4146611-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-03-27 | — | — | US | disclosed |
| US-4129571-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1978-12-12 | — | — | US | disclosed |
| US-4113715-A | Amino acid derivatives | E. R. SQUIBB & SONS, INC. (US) | 1978-09-12 | — | — | US | disclosed |