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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 4/20 | 0.50 |
| ▸ | CHRNA3 known ✓ | P32297 | 4/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.61 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.61 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.61 |
| ▸ | CHRNA5 | P30532 | 3/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.50 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.48 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22110284 | 0.93 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4 | |
| SCHEMBL14502963 | 0.93 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4 | |
| SCHEMBL19617254 | 0.81 | ABHD6 (0.56) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL15811762 | 0.81 | ABHD6 (0.56) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL6360197 | 0.81 | ABHD6 (0.56) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL20726252 | 0.79 | TMEM97 (0.45) | CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4 | |
| SCHEMBL8806151 | 0.78 | ADRA2A (0.52) | CHRNB2CHRNA4CHRNA7CHRNA5CHRM3 | |
| SCHEMBL6252963 | 0.77 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3CHRM3 | |
| SCHEMBL19617897 | 0.77 | TRPV6 (0.55) | CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4 | |
| SCHEMBL19616936 | 0.77 | TRPV6 (0.55) | CHRNB2CHRNA4CHRNA7CHRNA5CHRNB4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105503861-A | Kinase inhibitors | CHIESI FARM SPA | 2016-04-20 | — | — | CN | disclosed |