Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL4649015 | 0.86 | AKR1C1 (0.48) | CES1POLBTSHRMAPTKDM4E | |
| SCHEMBL4725825 | 0.78 | AAK1 (0.42) | CES1L3MBTL1TSHRMAPTHSD17B10 | |
| SCHEMBL7564830 | 0.77 | CES1 (0.45) | CES1L3MBTL1CYP2C19POLBTSHR | |
| SCHEMBL30046775 | 0.74 | CYP2C19 (0.50) | CES1L3MBTL1CYP2C19POLBTSHR | |
| SCHEMBL94197 | 0.72 | ALDH1A1 (0.42) | CES1L3MBTL1CYP2C19POLBTSHR | |
| SCHEMBL94199 | 0.72 | ALDH1A1 (0.42) | CES1L3MBTL1CYP2C19POLBTSHR | |
| SCHEMBL6722688 | 0.72 | CES1 (0.43) | CES1TSHRTDP1ALDH1A1AKR1C1 | |
| SCHEMBL28907328 | 0.71 | AKR1C1 (0.36) | CES1POLBMAPTKDM4EALDH1A1 | |
| SCHEMBL517736 | 0.71 | TSHR (0.52) | CES1L3MBTL1CYP2C19POLBTSHR | |
| SCHEMBL1628733 | 0.71 | TDP1 (0.52) | CES1L3MBTL1CYP2C19POLBTSHR |
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-1309590-A1 | AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | Pharmacia Italia S.p.A. (IT) | 2003-05-14 | — | — | EP | disclosed |
| WO-2001098299-A1 | AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA ITALIA S.P.A. (IT) | 2001-12-27 | — | — | WO | disclosed |