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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | RARB | P10826 | 6/20 | 0.58 |
| ▸ | PLK1 | P53350 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | THRA | P10827 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL168272 | 0.87 | CA2 (0.56) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| P-Xylene SCHEMBL9064447 | 0.87 | CA2 (0.56) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| Hexanoate SCHEMBL28383205 | 0.85 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10MEN1KMT2A | |
| SCHEMBL365821 | 0.85 | CA2 (0.54) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| Ammonia Solution, Strong SCHEMBL9428103 | 0.85 | CA2 (0.54) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| Octanoic Acid SCHEMBL29016082 | 0.84 | S1PR1 (0.60) | ALDH1A1HPGDHSD17B10MEN1KMT2A | |
| Butylbenzyl SCHEMBL27473333 | 0.83 | ALDH1A1 (0.62) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| Acetic Acid SCHEMBL27813854 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| Acetic Acid SCHEMBL11416637 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| SCHEMBL12620502 | 0.82 | HAO1 (0.60) | ALDH1A1HPGDHSD17B10RARBPLK1 |
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-0836588-A1 | PROCESS TO PREPARE 5-FORMYLVALERIC ACID | DSM N.V. (NL) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002228-A1 | PROCESS TO PREPARE 5-FORMYLVALERIC ACID | DSM N.V. (NL) | 1997-01-23 | — | — | WO | disclosed |