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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 5/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | THPO | P40225 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL121635 | 0.87 | EGFR (0.58) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| Butyric Acid SCHEMBL7166690 | 0.84 | EGFR (0.57) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| Acetamide SCHEMBL9819671 | 0.84 | EGFR (0.54) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL9385451 | 0.83 | EGFR (0.56) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL10473426 | 0.82 | EGFR (0.54) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL13338131 | 0.82 | EGFR (0.54) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL11411350 | 0.80 | EGFR (0.57) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL479209 | 0.79 | TSHR (0.55) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL11980711 | 0.78 | EGFR (0.63) | EGFRERBB2ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL1438703 | 0.78 | EGFR (0.55) | EGFRERBB2ALDH1A1SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3186268-B1 | ESTERS OF STEROIDAL LACTAM AND BIS(2-CHLOROETHYL) AMINOPHENOXY PROPANOIC ACID DERIVATIVES | GALENICA S A (GR) | 2018-11-28 | — | — | EP | disclosed |