Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.38 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3846799 | 0.93 | MTOR (0.40) | MTORALDH1A1KDM4EHPGDCYP3A4 | |
| SCHEMBL3847491 | 0.91 | CYP2C19 (0.45) | MTORALDH1A1HSD17B10CYP2C19LMNA | |
| SCHEMBL3846433 | 0.90 | AKR1C3 (0.42) | AKR1C3ALDH1A1HSD17B10KDM4ECYP2C19 | |
| SCHEMBL3850111 | 0.87 | MTOR (0.39) | MTORALDH1A1KDM4EMAPK1PDGFRB | |
| SCHEMBL3846231 | 0.84 | MAPKAPK2 (0.46) | ALDH1A1HSD17B10KDM4ECYP2C19HPGD | |
| SCHEMBL3848141 | 0.84 | CYP3A4 (0.50) | MTORALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL3850354 | 0.83 | NCF1 (0.48) | MTORALDH1A1CYP2C19LMNACYP1A2 | |
| SCHEMBL3845802 | 0.80 | CTSS (0.37) | MTORALDH1A1KDM4ECYP2C19CYP1A2 | |
| SCHEMBL3847156 | 0.80 | AKR1C3 (0.43) | AKR1C3MTORALDH1A1HSD17B10KDM4E | |
| SCHEMBL3844619 | 0.79 | MAPKAPK2 (0.40) | PIK3CA |
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 |