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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15668691 | 0.79 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2 | |
| Acetic Acid SCHEMBL28119023 | 0.75 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1SMN1; SMN2HPGD | |
| Acetic Acid SCHEMBL28022541 | 0.73 | MTNR1A (0.45) | ALDH1A1L3MBTL1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL4257786 | 0.72 | SMN1; SMN2 (0.44) | ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL15668887 | 0.72 | KMT2A (0.42) | ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL14151950 | 0.72 | CNR2 (0.40) | ALDH1A1L3MBTL1SMN1; SMN2RAB9AMTNR1A | |
| Acetic Acid SCHEMBL28005404 | 0.70 | CNR2 (0.33) | ALDH1A1SMN1; SMN2HPGDHSD17B10TP53 | |
| SCHEMBL15669107 | 0.69 | ALDH1A1 (0.35) | ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL5700020 | 0.69 | ALOX5AP (0.38) | ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL23506516 | 0.68 | RAB9A (0.33) | ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2 |
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-106349156-B | It can be used as the pyridine -2- amides of CB2 agonist | 霍夫曼-拉罗奇有限公司 | 2018-12-11 | — | — | CN | disclosed |
| CN-106349156-A | Pyridine-2-amides capable of being used as CB2 agonist | 霍夫曼-拉罗奇有限公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-103608332-B | Pyridine-2-amides useful as CB2 agonists | 霍夫曼-拉罗奇有限公司 | 2016-09-28 | — | — | CN | disclosed |