Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 4/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 3/20 | 0.33 |
| ▸ | JAK3 | P52333 | 3/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | FLT3 | P36888 | 3/20 | 0.33 |
| ▸ | KIT | P10721 | 4/20 | 0.33 |
| ▸ | KCNT2 | Q6UVM3 | 1/20 | 0.32 |
| ▸ | NRAS | P01111 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3855309 | 0.86 | TGFBR1 (0.38) | TGFBR1PIK3CAJAK2JAK3JAK1 | |
| Hydrochloric Acid SCHEMBL3854861 | 0.85 | TGFBR1 (0.37) | TGFBR1PIK3CAJAK2JAK3JAK1 | |
| Hydrochloric Acid SCHEMBL3846121 | 0.85 | TGFBR1 (0.37) | TGFBR1PIK3CAJAK2JAK3JAK1 | |
| Hydrochloric Acid SCHEMBL3847409 | 0.83 | ALDH1A1 (0.40) | TGFBR1PIK3CAS1PR1PIK3CBMTOR | |
| SCHEMBL3848981 | 0.83 | PIK3CA (0.33) | TGFBR1PIK3CAS1PR1PIK3CBMTOR | |
| SCHEMBL3847576 | 0.81 | PIK3CA (0.49) | TGFBR1PIK3CAPIK3CBMTORCDK19 | |
| Hydrochloric Acid SCHEMBL3846443 | 0.78 | CNR2 (0.41) | TGFBR1PIK3CAPIK3CBMTORCDK19 | |
| SCHEMBL3850704 | 0.78 | FLT3 (0.43) | TGFBR1JAK2JAK3JAK1FLT3 | |
| SCHEMBL3848982 | 0.77 | PIK3CA (0.31) | PIK3CAPIK3CBMTORCDK19 | |
| SCHEMBL3846083 | 0.77 | TGFBR1 (0.38) | TGFBR1PIK3CAFLT3KITNRAS |
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 4 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 |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | 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 |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |