Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | NRAS | P01111 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 3/20 | 0.38 |
| ▸ | AKT2 | P31751 | 3/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3852019 | 0.89 | FLT3 (0.40) | ROCK2ROCK1FLT3NRASCHEK1 | |
| Hydrochloric Acid SCHEMBL3846612 | 0.88 | FLT3 (0.39) | ROCK2ROCK1FLT3NRASCHEK1 | |
| Hydrochloric Acid SCHEMBL3852534 | 0.88 | FLT3 (0.41) | ROCK2ROCK1FLT3NRASCHEK1 | |
| Hydrochloric Acid SCHEMBL3852208 | 0.87 | FLT3 (0.39) | ROCK2ROCK1FLT3NRASCHEK1 | |
| Hydrochloric Acid SCHEMBL3847794 | 0.87 | SLC6A9 (0.39) | FLT3NRASSLC6A9PTK6AURKB | |
| Hydrochloric Acid SCHEMBL3850508 | 0.83 | FLT3 (0.39) | ROCK2ROCK1FLT3NRASCHEK1 | |
| SCHEMBL3847325 | 0.83 | SLC6A9 (0.41) | FLT3TACR3SLC6A9MAPK1MET | |
| Hydrochloric Acid SCHEMBL3852843 | 0.79 | ROCK2 (0.45) | ROCK2ROCK1FLT3NRASTACR3 | |
| Hydrochloric Acid SCHEMBL3849166 | 0.77 | FLT3 (0.42) | ROCK2ROCK1FLT3NRASCHEK1 | |
| SCHEMBL3846110 | 0.77 | FLT3 (0.44) | ROCK2ROCK1FLT3NRASCHEK1 |
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 |