Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ATP4A | P20648 | 2/20 | 0.42 |
| ▸ | ATP4B | P51164 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742430 | 0.97 | RARB (0.45) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743988 | 0.96 | DRD2 (0.44) | DRD2DRD4DRD3CA12CA1 | |
| SCHEMBL9742036 | 0.94 | MCHR1 (0.45) | CYP2D6CYP3A4MCHR1CA12CA1 | |
| SCHEMBL9742182 | 0.94 | CYP2D6 (0.51) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743380 | 0.93 | NR5A1 (0.45) | DRD2DRD4DRD3CA12CA1 | |
| SCHEMBL9745437 | 0.91 | NR5A1 (0.47) | KCNH2 | |
| SCHEMBL9745379 | 0.91 | NR5A1 (0.47) | KCNH2 | |
| SCHEMBL9742462 | 0.91 | RARB (0.49) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9744005 | 0.91 | RARB (0.49) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9742895 | 0.91 | RARB (0.49) | 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 |