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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059903 | 0.96 | KDM4E (0.33) | KDM4EALDH1A1TSHRPOLBHSD17B10 | |
| SCHEMBL16383373 | 0.78 | KDM4E (0.33) | KDM4EALDH1A1TSHRPOLBHSD17B10 | |
| SCHEMBL10039168 | 0.77 | KMT2A (0.30) | KDM4EKMT2ANPSR1 | |
| SCHEMBL10092111 | 0.73 | KMT2A (0.37) | KDM4EKMT2ANPSR1CHRM2CHRM4 | |
| SCHEMBL9146956 | 0.70 | — | — | |
| SCHEMBL1114514 | 0.67 | — | — | |
| SCHEMBL19261972 | 0.67 | — | — | |
| SCHEMBL19261976 | 0.67 | — | — | |
| SCHEMBL9036931 | 0.66 | CHRM2 (0.39) | ALDH1A1TSHRPOLBKMT2ACHRM2 | |
| SCHEMBL8464240 | 0.64 | CYP3A4 (0.36) | TSHRKMT2ATDP1CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879543-A1 | DENTAL COMPOSITIONS CONTAINING HYBRID MONOMERS | 3M Innovative Properties Company (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006122081-A1 | DENTAL COMPOSITIONS CONTAINING HYBRID MONOMERS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2006-11-16 | — | — | WO | disclosed |