Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL852825 | 0.81 | CALM1 (0.42) | CYP2D6CYP1A2LTA4H | |
| SCHEMBL11863358 | 0.77 | CYP2A6 (0.32) | CYP1A2 | |
| SCHEMBL11014831 | 0.71 | L3MBTL1 (0.40) | HRH4HRH3 | |
| SCHEMBL727185 | 0.71 | CYP1A2 (0.62) | CYP11B1CYP11B2HRH4HRH3CYP2D6 | |
| SCHEMBL3959322 | 0.70 | CYP11B1 (0.45) | CYP11B1CYP11B2HRH4HRH3CYP2D6 | |
| SCHEMBL28233327 | 0.70 | CYP11B1 (0.53) | CYP11B1CYP11B2HRH4HRH3CYP2D6 | |
| SCHEMBL29995759 | 0.69 | CYP11B1 (0.65) | CYP11B1CYP11B2HRH4HRH3CYP2D6 | |
| SCHEMBL177863 | 0.69 | CYP11B1 (0.65) | CYP11B1CYP11B2HRH4HRH3CYP2D6 | |
| SCHEMBL6740961 | 0.69 | KCNH2 (0.39) | KCNH2 | |
| SCHEMBL6704132 | 0.69 | CYP11B1 (0.50) | CYP11B1CYP11B2CYP1A2CYP3A4 |
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-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 |