Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6331329 | 0.75 | ALDH1A1 (0.49) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL21483087 | 0.73 | ALDH1A1 (0.48) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL12490905 | 0.73 | ALDH1A1 (0.48) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL21462564 | 0.73 | ALDH1A1 (0.48) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL21209747 | 0.73 | OPRL1 (0.51) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL5871849 | 0.73 | SIGMAR1 (0.46) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL10205914 | 0.72 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL4504991 | 0.71 | TSHR (0.58) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL31516385 | 0.69 | OPRL1 (0.50) | CYP2D6ALDH1A1CYP2C19CYP3A4TSHR | |
| SCHEMBL19878947 | 0.69 | ALDH1A1 (0.51) | CYP2D6ALDH1A1CYP2C19CYP3A4CYP1A2 |
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-3858349-A1 | NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME | Japan Tobacco Inc. (JP) | 2021-08-04 | — | — | EP | disclosed |