Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.34 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.34 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3846081 | 0.91 | PDGFRB (0.34) | PDGFRBALDH1A1DRD2DRD3 | |
| SCHEMBL3848853 | 0.88 | ALDH1A1 (0.36) | ACVR1ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL3848412 | 0.86 | PIK3CA (0.33) | PIK3CADRD2DRD3 | |
| SCHEMBL3846611 | 0.86 | MTOR (0.33) | PDGFRBDRD2DRD3 | |
| SCHEMBL3846960 | 0.86 | HTR6 (0.40) | ACVR1BMPR1BBMPR1AACVR1BACVRL1 | |
| SCHEMBL3846433 | 0.85 | AKR1C3 (0.42) | AKR1C3ACVR1PDGFRBBMPR1BKIT | |
| SCHEMBL3850737 | 0.85 | CDK9 (0.36) | KDM4E | |
| SCHEMBL3846245 | 0.85 | DRD2 (0.39) | PDGFRBTGFBR1DRD2DRD3 | |
| SCHEMBL3850518 | 0.85 | CYP46A1 (0.38) | ALDH1A1HPGDHSD17B10CYP2C9CLK4 | |
| SCHEMBL3852559 | 0.85 | BACE1 (0.36) | ALDH1A1HPGDDRD2DRD3 |
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 |