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 | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL79074 | 0.90 | NPSR1 (0.62) | NPSR1MAOAMAOBHDAC3TNKS | |
| SCHEMBL9714866 | 0.90 | NPSR1 (0.62) | NPSR1MAOAMAOBHDAC3TNKS | |
| SCHEMBL29426419 | 0.90 | NPSR1 (0.62) | NPSR1MAOAMAOBHDAC3TNKS | |
| SCHEMBL79073 | 0.90 | NPSR1 (0.62) | NPSR1MAOAMAOBHDAC3TNKS | |
| SCHEMBL2323099 | 0.85 | NPSR1 (0.65) | NPSR1HDAC3TNKSHDAC4HDAC1 | |
| SCHEMBL2323106 | 0.85 | NPSR1 (0.65) | NPSR1HDAC3TNKSHDAC4HDAC1 | |
| SCHEMBL1510681 | 0.81 | IP6K1 (0.59) | NPSR1MAOAMAOBHDAC3TNKS | |
| SCHEMBL8948080 | 0.80 | TDP1 (0.62) | NPSR1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL6603490 | 0.80 | TDP1 (0.62) | NPSR1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL20546854 | 0.79 | KDM4E (0.55) | NPSR1MAOAMAOBHDAC3TNKS |
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-0738145-A1 | PHARMACEUTICAL COMPOSITIONS | NORSK HYDRO a.s. (NO) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018607-A1 | PHARMACEUTICAL COMPOSITIONS | NORSK HYDRO A.S (NO) | 1995-07-13 | — | — | WO | disclosed |