Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 19/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 4/20 | 0.55 |
| ▸ | DRD3 | P35462 | 4/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9598106 | 0.89 | DRD4 (0.46) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5748888 | 0.88 | DRD4 (0.73) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8291789 | 0.88 | DRD4 (0.73) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13319146 | 0.88 | DRD4 (0.73) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17965933 | 0.86 | DRD4 (0.63) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17965934 | 0.86 | DRD4 (0.63) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25531061 | 0.84 | DRD4 (0.51) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4481522 | 0.83 | DRD4 (0.63) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8719930 | 0.80 | DRD4 (0.66) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28218796 | 0.79 | DRD4 (0.57) | DRD4CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5190958-A | Fungicides | SHELL RESEARCH LIMITED (GB) | 1993-03-02 | — | — | US | disclosed |
| EP-0435387-A1 | Piperidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-07-03 | — | — | EP | disclosed |