Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.51 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 2/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10692529 | 0.87 | CYP19A1 (0.58) | CYP3A4CYP3A5CYP19A1CYP17A1RORC | |
| SCHEMBL9804316 | 0.85 | CYP3A4 (0.53) | CYP3A4CYP19A1CYP17A1NPC1RAB9A | |
| SCHEMBL9804417 | 0.80 | CYP19A1 (0.55) | CYP3A4CYP3A5CYP19A1RORC | |
| SCHEMBL913686 | 0.76 | CYP19A1 (0.72) | CYP3A4CYP3A5CYP19A1RORCKCNA5 | |
| SCHEMBL4558274 | 0.73 | CYP19A1 (0.65) | CYP3A4CYP3A5CYP19A1RORCKCNA5 | |
| SCHEMBL10690806 | 0.72 | CYP19A1 (0.60) | CYP3A4CYP19A1CYP17A1NPC1RAB9A | |
| SCHEMBL13712389 | 0.72 | CYP11B2 (0.72) | CYP3A4CYP19A1CYP17A1 | |
| SCHEMBL10681547 | 0.70 | CYP17A1 (0.52) | CYP3A4CYP17A1NPC1RAB9A | |
| SCHEMBL3126130 | 0.70 | IMPDH2 (0.53) | CYP3A4 | |
| SCHEMBL4473850 | 0.69 | CYP19A1 (0.64) | CYP3A4CYP3A5CYP19A1RORCRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0194579-B1 | 3-PYRIDYLMETHYLNAPHTHYL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-04-03 | — | — | EP | disclosed |
| US-4734406-A | 3-pyridylmethylnaphthyl derivatives and composition containing them useful to inhibit thromboxane synthetase | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-03-29 | — | — | US | disclosed |
| EP-0194579-A2 | 3-Pyridylmethylnaphthyl derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-09-17 | — | — | EP | disclosed |