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 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 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 | |
|---|---|---|---|---|
| SCHEMBL19082518 | 0.90 | ALDH1A1 (0.38) | ALDH1A1HTTSMN1; SMN2KDM4ELMNA | |
| SCHEMBL16363530 | 0.70 | TDP1 (0.33) | KDM4ELMNA | |
| SCHEMBL777881 | 0.70 | TDP1 (0.33) | KDM4ELMNA | |
| SCHEMBL11424590 | 0.70 | NAPRT (0.47) | ALDH1A1APPGAAHCAR3HCAR2 | |
| SCHEMBL24383662 | 0.70 | DYRK1A (0.39) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL6970104 | 0.69 | — | — | |
| SCHEMBL6970109 | 0.69 | — | — | |
| SCHEMBL14918931 | 0.69 | P4HTM (0.46) | ALDH1A1HCAR2HTTSMN1; SMN2KDM4E | |
| SCHEMBL19289424 | 0.69 | ALDH1A1 (0.38) | ALDH1A1KDM4E | |
| SCHEMBL23513558 | 0.68 | CA12 (0.46) | ALDH1A1GAANAPRTKDM4EAKR1C3 |
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-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-104837831-A | Novel pyridine derivatives | HOFFMANN LA ROCHE | 2015-08-12 | — | — | CN | disclosed |