Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744005 | 0.97 | RARB (0.49) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9742462 | 0.97 | RARB (0.49) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9742422 | 0.97 | CYP3A4 (0.49) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9745142 | 0.97 | CYP3A4 (0.49) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9742895 | 0.97 | RARB (0.49) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743907 | 0.95 | CYP3A4 (0.47) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743257 | 0.95 | RARB (0.51) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9742892 | 0.95 | RARB (0.51) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9744448 | 0.95 | RARB (0.51) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743930 | 0.95 | RARB (0.51) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 |
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-5084204-A | Naphthylacetylenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-01-28 | — | — | US | disclosed |