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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.57 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL247847 | 0.88 | — | — | |
| Acetic Acid SCHEMBL28336892 | 0.87 | ALDH1A1 (0.58) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| Water SCHEMBL27552684 | 0.86 | CES2 (0.52) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| Hydrochloric Acid SCHEMBL29535473 | 0.86 | CES2 (0.52) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| Hydrochloric Acid SCHEMBL857460 | 0.86 | CES2 (0.52) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| Maleic Acid SCHEMBL7226173 | 0.86 | LMNA (0.53) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| Acetic Acid SCHEMBL27791292 | 0.85 | ALDH1A1 (0.64) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| Pyridine SCHEMBL30058515 | 0.85 | LMNA (0.50) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| Hydrochloric Acid SCHEMBL5945629 | 0.84 | CES2 (0.50) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM | |
| 2-Picolinic Acid SCHEMBL7562378 | 0.81 | LMNA (0.80) | ALDH1A1LMNAL3MBTL1NAPRTP4HTM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104177298-B | Bis- substitution -4,5- dihydros -1H of 4,4--imidazoles -5- ketone, derivative and its synthetic method | 湘潭大学 | 2018-10-02 | — | — | CN | disclosed |
| CN-101641346-A | Pyridine and pyrimidine derivatives as MGLUR2 antagonists | HOFFMANN LA ROCHE CH | 2010-02-03 | — | — | CN | disclosed |
| CN-1930159-A | Novel dicationic imidazo [1, 2-a ] pyridine and 5,6,7, 8-tetrahydro-imidazo [1, 2-a ] pyridine compounds as antiprotozoal agents | UNIV NORTH CAROLINA (US) | 2007-03-14 | — | — | CN | disclosed |