Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9548874 | 0.96 | CAPN1 (0.43) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL27511860 | 0.85 | CAPN1 (0.41) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL27509346 | 0.85 | CAPN1 (0.41) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| Ether SCHEMBL27618516 | 0.78 | CAPN1 (0.44) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL23048468 | 0.76 | — | — | |
| SCHEMBL152451 | 0.73 | — | — | |
| SCHEMBL1338721 | 0.73 | KCNH2 (0.41) | ALDH1A1TSHRPOLB | |
| SCHEMBL755823 | 0.72 | RAB9A (0.50) | MEN1KMT2AALDH1A1TSHRALOX15 | |
| Fluoride SCHEMBL30329858 | 0.71 | — | — | |
| SCHEMBL24603048 | 0.71 | KCNH2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-5204424-A | CONDUCTIVE POLYMERS DERIVED FROM AROMATIC HETEROCYCLIC COMPOUNDS SUBSTITUTED BY AN ETHER-TYPE GROUP | SOLVAY S.A. (BE) | 1993-04-20 | — | — | US | disclosed |