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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL10299821 | 0.93 | MEN1 (0.33) | KMT2AMEN1 | |
| Acetic Acid SCHEMBL987391 | 0.89 | KMT2A (0.34) | KMT2AMEN1TSHRCYP2D6LMNA | |
| Bicarbonate SCHEMBL3798404 | 0.83 | KMT2A (0.34) | KMT2AMEN1TSHR | |
| SCHEMBL987393 | 0.83 | TSHR (0.45) | KMT2AMEN1TSHR | |
| Acetic Acid SCHEMBL987138 | 0.81 | GAA (0.38) | KMT2AMEN1TSHR | |
| SCHEMBL987956 | 0.80 | MEN1 (0.33) | KMT2AMEN1 | |
| Glycolic Acid SCHEMBL3797479 | 0.80 | KMT2A (0.33) | KMT2AMEN1TSHR | |
| Bicarbonate SCHEMBL3798743 | 0.80 | KMT2A (0.33) | KMT2AMEN1TSHR | |
| SCHEMBL8385397 | 0.80 | TSHR (0.41) | KMT2AMEN1TSHR | |
| SCHEMBL17350835 | 0.79 | MEN1 (0.32) | KMT2AMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7862746-B2 | Stabilization of natural composites | BASF SE. (DE) | 2011-01-04 | — | — | US | claimed |
| US-20060183821-A1 | Stabilization of natural composites | CIBA CORPORATION | 2006-08-17 | — | — | US | claimed |
| US-7862746-B2 | Stabilization of natural composites | BASF SE. (DE) | 2011-01-04 | — | — | US | disclosed |
| US-20060183821-A1 | Stabilization of natural composites | CIBA CORPORATION | 2006-08-17 | — | — | US | disclosed |