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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726813 | 0.90 | — | — | |
| Dimethylamine SCHEMBL28594962 | 0.86 | LMNA (0.48) | LMNACNR1ADRA1ATDP1KDM4E | |
| Acetic Acid SCHEMBL11209914 | 0.84 | LMNA (0.64) | LMNACNR1ADRA1ATDP1KDM4E | |
| SCHEMBL18281187 | 0.76 | — | — | |
| SCHEMBL1199682 | 0.76 | — | — | |
| SCHEMBL8961847 | 0.76 | LMNA (0.41) | LMNAADRA1ATDP1 | |
| Ethambutol SCHEMBL8575513 | 0.75 | LMNA (0.77) | LMNACNR1ADRA1ATDP1KDM4E | |
| Acetic Acid SCHEMBL4342567 | 0.75 | DNM1 (0.36) | LMNACNR1ADRA1ATDP1KDM4E | |
| Ethambutol SCHEMBL29131237 | 0.75 | LMNA (0.77) | LMNACNR1ADRA1ATDP1KDM4E | |
| Acetic Acid SCHEMBL722667 | 0.75 | DNM1 (0.36) | LMNACNR1ADRA1ATDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6762160-B2 | A DETERGENT AND A SALT OR A SALT-FORMING ACID; CAPABLE OF DISPLACING DIVALENT CATIONS AND DISMANTLING THE STRUCTURE OF BIOFILM; USEFUL IN DENTISTRY | UNIVERSITE DE MONTREAL (CA) | 2004-07-13 | — | — | US | claimed |