Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10071109 | 0.87 | SCN9A (0.37) | AKR1C3AKR1C2SHBGTSHR | |
| SCHEMBL21236575 | 0.86 | SLC6A4 (0.36) | AKR1C3AKR1C2SHBG | |
| SCHEMBL10071710 | 0.81 | AOC3 (0.41) | MAPTALDH1A1HPGDIDO1 | |
| SCHEMBL5541135 | 0.77 | CES2 (0.41) | CES2CES1AKR1C3AKR1C2PDPK1 | |
| SCHEMBL4670365 | 0.75 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL28814369 | 0.74 | CES2 (0.30) | CES2CES1 | |
| SCHEMBL23561028 | 0.73 | SHBG (0.35) | CES2CES1AKR1C3AKR1C2SHBG | |
| SCHEMBL1827511 | 0.73 | LMNA (0.42) | MAPTALDH1A1 | |
| SCHEMBL13616887 | 0.73 | LMNA (0.42) | MAPTALDH1A1 | |
| SCHEMBL29031276 | 0.72 | HTT (0.33) | AKR1C3AKR1C2 |
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-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | claimed |