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 | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8429711 | 0.90 | MAOA (0.41) | TBXAS1ALDH1A1GRM2SMN1; SMN2NPC1 | |
| Ammonia Solution, Strong SCHEMBL7240950 | 0.89 | MAOA (0.40) | TBXAS1ALDH1A1GRM2SMN1; SMN2NPC1 | |
| SCHEMBL28121178 | 0.80 | MAOA (0.39) | MTNR1AMTNR1BTBXAS1ALDH1A1GRM2 | |
| Acetic Acid SCHEMBL28005380 | 0.79 | GAA (0.45) | TBXAS1ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL4685752 | 0.78 | GRM2 (0.37) | MTNR1AMTNR1BTBXAS1ALDH1A1GRM2 | |
| SCHEMBL4685755 | 0.78 | GRM2 (0.37) | MTNR1AMTNR1BTBXAS1ALDH1A1GRM2 | |
| SCHEMBL8429704 | 0.77 | MAOA (0.39) | TBXAS1ALDH1A1GRM2NPC1RAB9A | |
| Acetic Acid SCHEMBL28049616 | 0.76 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL11408451 | 0.75 | FFAR1 (0.62) | TBXAS1ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6840776 | 0.75 | ALDH1A1 (0.43) | ALDH1A1GRM2SMN1; SMN2NPC1RAB9A |
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 8 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-104854092-B | Pyridine-2-amides useful as CB2 agonists | 霍夫曼-拉罗奇有限公司 | 2018-08-10 | — | — | CN | disclosed |
| CN-107674061-A | Pyridine derivate | 霍夫曼-拉罗奇有限公司 | 2018-02-09 | — | — | CN | disclosed |
| CN-104837831-B | Novel pyridine derivatives | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | 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 |
| CN-104854092-A | PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE | 2015-08-19 | — | — | CN | disclosed |
| CN-104837831-A | Novel pyridine derivatives | HOFFMANN LA ROCHE | 2015-08-12 | — | — | CN | disclosed |