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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.69 |
| ▸ | CES1 | P23141 | 1/20 | 0.69 |
| ▸ | PARP1 | P09874 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 6/20 | 0.64 |
| ▸ | NPC1 | O15118 | 5/20 | 0.64 |
| ▸ | MITF | O75030 | 1/20 | 0.64 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.62 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.55 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6827745 | 0.96 | CES2 (0.74) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL29351426 | 0.96 | CES2 (0.74) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL63427 | 0.96 | CES2 (0.74) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL10403563 | 0.94 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL30142542 | 0.94 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL5773812 | 0.94 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL1448094 | 0.94 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Water SCHEMBL27893543 | 0.94 | CES2 (0.71) | CES2CES1PARP1RAB9ANPC1 | |
| Formaldehyde SCHEMBL11142552 | 0.92 | CES2 (0.69) | CES2CES1PARP1RAB9ANPC1 | |
| SCHEMBL8806581 | 0.89 | CES2 (0.65) | CES2CES1PARP1RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1215216-B1 | Cellulose ester of aromatic carboxylic acid | FUJI PHOTO FILM CO LTD (JP) | 2005-07-27 | — | — | EP | disclosed |
| EP-1215216-A1 | Cellulose ester of aromatic carboxylic acid | FUJI PHOTO FILM CO., LTD. (JP) | 2002-06-19 | — | — | EP | disclosed |