Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 8/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3854224 | 0.93 | TGFBR1 (0.36) | TGFBR1PIK3CAALDH1A1TSHRPIK3CB | |
| Trifluoroacetic Acid SCHEMBL3856637 | 0.91 | TGFBR1 (0.36) | TGFBR1PIK3CAALDH1A1PIK3CBMTOR | |
| Trifluoroacetic Acid SCHEMBL3857703 | 0.87 | ABL1 (0.37) | TGFBR1PIK3CAPIK3CBMTORCDK19 | |
| Trifluoroacetic Acid SCHEMBL3850710 | 0.85 | TGFBR1 (0.36) | TGFBR1PIK3CAPIK3CBMTORCDK19 | |
| Trifluoroacetic Acid SCHEMBL3853505 | 0.85 | MAPK1 (0.40) | TGFBR1ALDH1A1TSHRMAPTMAPK1 | |
| Trifluoroacetic Acid SCHEMBL3852320 | 0.84 | SCN5A (0.34) | TGFBR1PIK3CAALDH1A1PIK3CBMTOR | |
| SCHEMBL3856480 | 0.83 | TGFBR1 (0.36) | TGFBR1PIK3CAPIK3CBMTORCDK19 | |
| Trifluoroacetic Acid SCHEMBL5851891 | 0.83 | TGFBR1 (0.36) | TGFBR1PIK3CAALDH1A1PIK3CBMTOR | |
| Hydrochloric Acid SCHEMBL3847600 | 0.82 | TGFBR1 (0.38) | TGFBR1PIK3CAALDH1A1PIK3CBMTOR | |
| Trifluoroacetic Acid SCHEMBL3846699 | 0.80 | ABL1 (0.37) | TGFBR1PIK3CAALDH1A1PIK3CBMTOR |
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-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |