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 | 1/20 | 0.43 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.58 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.58 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.58 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.58 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13169682 | 0.95 | — | — | |
| SCHEMBL291263 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL10492632 | 0.93 | CHRM5 (0.60) | CHRM1CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL5478047 | 0.93 | CHRM5 (0.60) | CHRM1CHRM5CHRM3CHRM2CHRM4 | |
| Iodomethane SCHEMBL27585919 | 0.91 | CHRM5 (0.58) | CHRM1CHRM5CHRM3CHRM2CHRM4 | |
| Methacrylic Acid SCHEMBL27816657 | 0.87 | CHRM1 (0.50) | CHRM1CHRM5CHRM3CHRM2CHRM4 | |
| Trifluoroacetic Acid SCHEMBL28486749 | 0.86 | CHRM1 (0.48) | CHRM1CHRM5CHRM3CHRM2CHRM4 | |
| Acetic Acid SCHEMBL9549763 | 0.82 | DNM1 (0.49) | CHRM1CHRM5CHRM3CHRM2CHRM4 | |
| SCHEMBL15223136 | 0.82 | ALDH1A1 (0.56) | CHRM1CHRM5CHRM3CHRM2CHRM4 | |
| Acetic Acid SCHEMBL9549765 | 0.81 | RAD52 (0.50) | CHRM1CHRM5CHRM3CHRM2CHRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102190633-A | Cetirizine derivatives, and composition and application thereof | LI YANG | 2011-09-21 | — | — | CN | claimed |
| CN-102190633-A | Cetirizine derivatives, and composition and application thereof | LI YANG | 2011-09-21 | — | — | CN | disclosed |