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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | ESRRA | P11474 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL1476486 | 0.95 | CES2 (0.52) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL461654 | 0.83 | LMNA (0.57) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL3516962 | 0.83 | LMNA (0.49) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL3517263 | 0.83 | LMNA (0.49) | LMNACES2CES1ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL30785538 | 0.82 | LMNA (0.55) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL10394795 | 0.81 | MMP2 (0.58) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL28956589 | 0.79 | CES2 (0.50) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL28137733 | 0.79 | CES2 (0.49) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL28154416 | 0.79 | LMNA (0.49) | LMNACES2CES1ALDH1A1KDM4E | |
| SCHEMBL28029106 | 0.79 | HPGD (0.47) | LMNACES2CES1ALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008033365-A2 | AMINO ION RELEASING HYDROGEN BONDED MOLECULE | SCHUTT STEVEN R (US) | 2008-03-20 | — | — | WO | claimed |
| US-20080064754-A1 | Amino ion releasing hydrogen bonded molecule | SCHUTT STEVEN R | 2008-03-13 | — | — | US | claimed |
| WO-2008033365-A2 | AMINO ION RELEASING HYDROGEN BONDED MOLECULE | SCHUTT STEVEN R (US) | 2008-03-20 | — | — | WO | disclosed |
| US-20080064754-A1 | Amino ion releasing hydrogen bonded molecule | SCHUTT STEVEN R | 2008-03-13 | — | — | US | disclosed |