Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 7/20 | 0.43 |
| ▸ | ACACA | Q13085 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742422 | 1.00 | CYP3A4 (0.49) | CYP3A4CYP2D6MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9744315 | 0.97 | RARB (0.47) | CYP3A4CYP2D6MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743266 | 0.97 | RARB (0.47) | CYP3A4CYP2D6MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743889 | 0.97 | MCHR1 (0.49) | CYP3A4CYP2D6MCHR1CYP1A2ACACB | |
| SCHEMBL9742182 | 0.97 | CYP2D6 (0.51) | CYP3A4CYP2D6MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9743676 | 0.96 | RARB (0.49) | CYP3A4CYP2D6MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9742300 | 0.96 | RARB (0.49) | CYP3A4CYP2D6MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9742378 | 0.95 | ACACB (0.46) | ACACBCA12CA1CA2CA6 | |
| SCHEMBL9742354 | 0.95 | ACACB (0.46) | ACACBCA12CA1CA2CA6 | |
| SCHEMBL9744005 | 0.94 | RARB (0.49) | CYP3A4CYP2D6MCHR1CYP19A1CYP2C9 |
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 |