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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| 4-Phenyl-Butylamine SCHEMBL31595530 | 0.94 | MAOA (0.76) | MAOAHTR2ASMN1; SMN2HDAC3HDAC4 | |
| Oxalic Acid SCHEMBL28079977 | 0.89 | MAOA (0.68) | MAOAHTR2ASMN1; SMN2HDAC3HDAC4 | |
| Phenethylamine SCHEMBL27806571 | 0.87 | TAAR1 (0.73) | MAOAHTR2ASMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL52482 | 0.87 | MAOA (0.85) | MAOAHTR2ASMN1; SMN2CYP2A6TAAR1 | |
| Benzene SCHEMBL28170833 | 0.87 | MAOA (0.85) | MAOAHTR2ASMN1; SMN2CYP2A6TAAR1 | |
| Propane SCHEMBL8092945 | 0.85 | MAOA (0.74) | MAOAHTR2ASMN1; SMN2ADRA1ASLC6A3 | |
| Iodide SCHEMBL6672340 | 0.84 | MAOA (0.81) | MAOAHTR2ASMN1; SMN2CYP2A6TAAR1 | |
| Bromide SCHEMBL5311946 | 0.84 | MAOA (0.81) | MAOAHTR2ASMN1; SMN2CYP2A6TAAR1 | |
| Water SCHEMBL28661260 | 0.84 | MAOA (0.81) | MAOAHTR2ASMN1; SMN2CYP2A6TAAR1 | |
| Hydrochloric Acid SCHEMBL1551608 | 0.84 | MAOA (0.81) | MAOAHTR2ASMN1; SMN2CYP2A6TAAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0527877-B1 | PROCESS FOR IMPROVING ADHESION OF POLYSILOXANE COATINGS TO POLYMERIC SUBSTRATES AND PRODUCTS PREPARED THEREBY | DU PONT (US) | 1998-12-23 | — | — | EP | disclosed |
| EP-0527877-A4 | PROCESS FOR IMPROVING ADHESION OF POLYSILOXANE COATINGS TO POLYMERIC SUBSTRATES AND PRODUCTS PREPARED THEREBY | DU PONT (US) | 1995-10-25 | — | — | EP | disclosed |
| EP-0527877-A1 | PROCESS FOR IMPROVING ADHESION OF POLYSILOXANE COATINGS TO POLYMERIC SUBSTRATES AND PRODUCTS PREPARED THEREBY | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-02-24 | — | — | EP | disclosed |
| US-5130401-A | A polysiloxane, a filler, an organosilicon compound, a curing agent and a silane compound with amine and ester groups | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-07-14 | — | — | US | disclosed |
| US-5069942-A | PREVENTION OF BLISTERING BY ION EXCHANGING | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-12-03 | — | — | US | disclosed |
| WO-1991016999-A1 | PROCESS FOR IMPROVING ADHESION OF POLYSILOXANE COATINGS TO POLYMERIC SUBSTRATES AND PRODUCTS PREPARED THEREBY | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-14 | — | — | WO | disclosed |