Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9548889 | 0.96 | CAPN1 (0.41) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL27509346 | 0.81 | CAPN1 (0.41) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL27511860 | 0.81 | CAPN1 (0.41) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| Ether SCHEMBL27618516 | 0.81 | CAPN1 (0.44) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL23048468 | 0.79 | — | — | |
| SCHEMBL152451 | 0.76 | — | — | |
| SCHEMBL1338721 | 0.75 | KCNH2 (0.41) | RAB9ASMN1; SMN2TDP1KDM4ETHRB | |
| Fluoride SCHEMBL30329858 | 0.74 | — | — | |
| SCHEMBL150899 | 0.72 | — | — | |
| SCHEMBL1516367 | 0.72 | CAPN1 (0.43) | CAPN1CYP1A2CYP3A4CYP2D6CYP19A1 |
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 |