Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 5/20 | 0.48 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27330845 | 0.91 | TNNI3K (0.54) | TNNI3KEGFRERBB3AURKAAURKB | |
| SCHEMBL7852421 | 0.86 | IDH2 (0.47) | TNNI3KEGFRERBB3MAPK1AURKA | |
| SCHEMBL8801375 | 0.85 | EGFR (0.51) | TNNI3KEGFRERBB3AURKAAURKB | |
| SCHEMBL8801381 | 0.85 | EGFR (0.51) | TNNI3KEGFRERBB3AURKAAURKB | |
| SCHEMBL8798907 | 0.85 | EGFR (0.52) | TNNI3KEGFRALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL27338343 | 0.80 | CTSL (0.58) | TNNI3KEGFRALDH1A1 | |
| SCHEMBL8799771 | 0.80 | TNNI3K (0.56) | TNNI3KEGFRERBB3CYP1A2CYP3A4 | |
| SCHEMBL8800460 | 0.80 | EGFR (0.55) | TNNI3KEGFRERBB3CYP1A2CYP2C9 | |
| SCHEMBL8799768 | 0.80 | TNNI3K (0.56) | TNNI3KEGFRERBB3CYP1A2CYP3A4 | |
| SCHEMBL27345374 | 0.79 | KMO (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C9ALOX15 |
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-1163242-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055162-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | disclosed |