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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 SCHEMBL28916538 | 0.79 | FFAR3 (0.54) | CA1LMNABLMALOX15PMP22 | |
| Acetic Acid SCHEMBL5526727 | 0.79 | FFAR3 (0.54) | CA1LMNABLMALOX15PMP22 | |
| Acetic Acid SCHEMBL11454406 | 0.78 | CA1 (0.73) | CA1LMNABLMALOX15PMP22 | |
| Acetic Acid SCHEMBL118599 | 0.78 | CA1 (0.89) | CA1LMNABLMALOX15PMP22 | |
| Acetic Acid SCHEMBL7101945 | 0.78 | — | — | |
| Acetic Acid SCHEMBL142802 | 0.78 | CA1 (0.89) | CA1LMNABLMALOX15PMP22 | |
| Acetic Acid SCHEMBL1880063 | 0.78 | CA1 (0.89) | CA1LMNABLMALOX15PMP22 | |
| Acetic Acid SCHEMBL1080 | 0.78 | — | — | |
| Acetic Acid SCHEMBL11464476 | 0.76 | FFAR3 (0.50) | LMNABLMALOX15PMP22FDPS | |
| SCHEMBL8961418 | 0.76 | CA1 (0.38) | CA1BLMCA4FDPSMEN1 |
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-4220729-A | ORGANIC AMINE-METAL COMPLEX SOLUBLE IN ISOCYANATE RAW MATERIAL | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1980-09-02 | — | — | US | claimed |
| US-4220729-A | ORGANIC AMINE-METAL COMPLEX SOLUBLE IN ISOCYANATE RAW MATERIAL | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1980-09-02 | — | — | US | disclosed |