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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL927347 | 1.00 | CA1 (0.57) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL9656465 | 0.97 | CA1 (0.53) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL10700061 | 0.97 | CA1 (0.53) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL16161243 | 0.97 | CA1 (0.53) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL11524564 | 0.97 | CA1 (0.53) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL8377120 | 0.97 | CA1 (0.53) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL8032115 | 0.97 | CA1 (0.53) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL3474894 | 0.97 | CA1 (0.53) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL468685 | 0.97 | CA1 (0.60) | CA1CA4PAOXLMNAALOX15 | |
| Acetic Acid SCHEMBL8431532 | 0.94 | CA1 (0.50) | CA1CA4PAOXLMNAALOX15 |
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-4220729-A | ORGANIC AMINE-METAL COMPLEX SOLUBLE IN ISOCYANATE RAW MATERIAL | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1980-09-02 | — | — | US | disclosed |