Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | PSD | A5PKW4 | 3/20 | 0.52 |
| ▸ | CTRC | Q99895 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31191947 | 0.93 | CYP19A1 (0.67) | CYP19A1NPC1RAB9AMEN1MAPT | |
| SCHEMBL21841086 | 0.91 | CYP19A1 (0.61) | CYP19A1NPC1RAB9APSDCYP2A6 | |
| SCHEMBL9848060 | 0.89 | CYP19A1 (0.55) | CYP19A1NPC1RAB9APSDCTRC | |
| SCHEMBL25458352 | 0.82 | CYP19A1 (0.51) | CYP19A1NPC1RAB9APSDCTRC | |
| SCHEMBL30085876 | 0.82 | CYP19A1 (0.51) | CYP19A1NPC1RAB9APSDCTRC | |
| SCHEMBL15669032 | 0.81 | CYP3A4 (0.49) | CYP19A1NPC1RAB9APSDKMT2A | |
| SCHEMBL9704830 | 0.81 | CTRC (0.66) | NPC1RAB9ACTRCMEN1MAPT | |
| SCHEMBL21689664 | 0.81 | CYP19A1 (0.57) | CYP19A1NPC1RAB9APSDCTRC | |
| SCHEMBL29620544 | 0.81 | CYP19A1 (0.57) | CYP19A1NPC1RAB9APSDCTRC | |
| SCHEMBL29620543 | 0.81 | CYP19A1 (0.57) | CYP19A1NPC1RAB9APSDCTRC |
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 |
|---|---|---|---|---|---|---|---|
| EP-0451585-A2 | 2-aryl-6-hetarylpyridine derivatives | BAYER AG (DE) | 1991-10-16 | — | — | EP | disclosed |