Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.49 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.48 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16760311 | 0.85 | CYP11B1 (0.49) | CYP11B1CYP11B2GRIK1GRIK2CYP2A6 | |
| SCHEMBL16760207 | 0.83 | ACLY (0.50) | CYP11B1CYP11B2GRIK1GRIK2CYP2A6 | |
| SCHEMBL7811371 | 0.83 | ALDH1A1 (0.51) | CYP11B1CYP11B2CYP2A6L3MBTL1KCNH2 | |
| SCHEMBL1171837 | 0.82 | GRIK1 (0.65) | GRIK1GRIK2L3MBTL1CA12CA9 | |
| SCHEMBL31413549 | 0.82 | GRIK1 (0.65) | GRIK1GRIK2L3MBTL1CA12CA9 | |
| SCHEMBL18806865 | 0.81 | GRIK1 (0.54) | GRIK1GRIK2L3MBTL1CA12CA9 | |
| SCHEMBL7809782 | 0.80 | KMT2A (0.60) | CYP2C19L3MBTL1CYP2C9CYP1A2TDP1 | |
| SCHEMBL7808056 | 0.80 | KMT2A (0.67) | CYP11B1CYP11B2CYP2A6CYP2C19CYP2E1 | |
| SCHEMBL7809850 | 0.79 | MAPT (0.51) | CYP11B1L3MBTL1KCNH2AOC3ALDH1A1 | |
| SCHEMBL5700736 | 0.78 | GRIK1 (0.60) | GRIK1GRIK2L3MBTL1CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0080154-B1 | N-SUBSTITUTED 2-PYRIDYL INDOLES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR THERAPEUTICAL USE | CIBA-GEIGY AG (CH) | 1985-08-28 | — | — | EP | disclosed |
| EP-0080154-A2 | N-substituted 2-pyridyl indoles, process for their preparation, pharmaceutical compositions containing them, and their therapeutical use | CIBA-GEIGY AG (CH) | 1983-06-01 | — | — | EP | disclosed |