Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28681075 | 1.00 | KCNH2 (0.41) | KCNH2AOC3CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL29386463 | 1.00 | KCNH2 (0.41) | KCNH2AOC3CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL29385162 | 0.88 | KMT2A (0.42) | NTRK1KDM4EALDH1A1POLB | |
| SCHEMBL28673356 | 0.88 | KMT2A (0.42) | NTRK1KDM4EALDH1A1POLB | |
| SCHEMBL28710769 | 0.86 | AOC3 (0.43) | KCNH2AOC3CYP19A1NTRK1 | |
| SCHEMBL29429079 | 0.82 | CYP11B1 (0.46) | KCNH2AOC3CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL29429075 | 0.82 | CYP11B1 (0.46) | KCNH2AOC3CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL28693222 | 0.82 | CYP11B1 (0.46) | KCNH2AOC3CYP19A1CYP11B1CYP17A1 | |
| SCHEMBL28692969 | 0.79 | ALOX5 (0.37) | CYP11B1CYP11B2MAPTKDRKDM4E | |
| SCHEMBL29383553 | 0.79 | ALOX5 (0.37) | CYP11B1CYP11B2MAPTKDRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-114031613-A | 1- (benzo [ b ] thiophene-7-yl) -indole derivative and synthetic method thereof | 湖南第一师范学院 | 2022-02-11 | — | — | CN | disclosed |