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 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | RARB | P10826 | 5/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | PLK1 | P53350 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL111607 | 0.88 | GFER (0.62) | ALDH1A1HPGDHSD17B10MAOBCA2 | |
| Hydrochloric Acid SCHEMBL2857384 | 0.86 | MAOB (0.61) | ALDH1A1HPGDHSD17B10MAOBCA2 | |
| Iodide SCHEMBL31425562 | 0.86 | HTR2A (0.59) | ALDH1A1HPGDHSD17B10MAOBCA2 | |
| SCHEMBL10580743 | 0.85 | RARB (0.57) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| SCHEMBL22346191 | 0.84 | HTR2A (0.69) | ALDH1A1HPGDHSD17B10MAOBCA2 | |
| SCHEMBL3432822 | 0.84 | HTR2A (0.57) | ALDH1A1HPGDHSD17B10MAOBCA2 | |
| Acetic Acid SCHEMBL8583603 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HPGDHSD17B10RARBPLK1 | |
| Tricarballylic Acid SCHEMBL28420758 | 0.82 | ALDH1A1 (0.54) | ALDH1A1HPGDHSD17B10RARBMAOB | |
| SCHEMBL8771395 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HPGDHSD17B10MAOBPLK1 | |
| SCHEMBL15198798 | 0.82 | RARB (0.56) | ALDH1A1HPGDHSD17B10RARBMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4188349-A | Process for curing unsaturated polyesters utilizing novel initiators | ICI AMERICAS INC. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4095019-A | N-SUBSTITUTED AROMATIC AMINO DIACETIC ACIDS | ICI AMERICAS INC. (US) | 1978-06-13 | — | — | US | disclosed |