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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 known ✓ | P32297 | 2/20 | 0.40 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.69 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.69 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.69 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.69 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.69 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.69 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.69 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.69 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.69 |
| ▸ | CPN1 | P15169 | 2/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18828823 | 0.94 | SLC6A1 (0.77) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| SCHEMBL18828784 | 0.94 | SLC6A1 (0.77) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| SCHEMBL1225755 | 0.94 | SLC6A1 (0.77) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| Hydrochloric Acid SCHEMBL5050450 | 0.92 | SLC6A1 (0.74) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| Hydrochloric Acid SCHEMBL22323200 | 0.92 | SLC6A1 (0.74) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| Hydrochloric Acid SCHEMBL15550547 | 0.92 | SLC6A1 (0.74) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| Hydrochloric Acid SCHEMBL27564309 | 0.92 | SLC6A1 (0.74) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| SCHEMBL4115452 | 0.92 | SLC6A1 (0.74) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| Acetic Acid SCHEMBL8859076 | 0.89 | SLC6A1 (0.88) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 | |
| SCHEMBL5501438 | 0.89 | SLC6A1 (0.74) | SLC6A1SLC6A11SLC6A13GABRA5GABRB2 |
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-102498107-A | Heteroaryl compounds as kinase inhibitors | NOVARTIS AG | 2012-06-13 | — | — | CN | disclosed |
| CN-102482265-A | Pyrazinylpyridines useful for the treatment of proliferative diseases | NOVARTIS AG | 2012-05-30 | — | — | CN | disclosed |
| CN-102471310-A | Bipyridines useful for the treatment of proliferative diseases | NOVARTIS AG | 2012-05-23 | — | — | CN | disclosed |