Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NR2F2 | P24468 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 2/20 | 0.39 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14145454 | 0.89 | NR2F2 (0.45) | HTTALDH1A1CYP1A2CLK4HSD17B10 | |
| SCHEMBL3848381 | 0.85 | NCF1 (0.47) | ALDH1A1MAPK1 | |
| SCHEMBL4717379 | 0.78 | CYP3A4 (0.46) | ALDH1A1CYP1A2CLK4HSD17B10CYP2C9 | |
| SCHEMBL18895539 | 0.77 | HTT (0.59) | HTTALDH1A1NPSR1CYP1A2CLK4 | |
| SCHEMBL3846839 | 0.76 | STAT3 (0.61) | HTTALDH1A1NPSR1CYP1A2CLK4 | |
| SCHEMBL3851360 | 0.75 | HTT (0.49) | HTTALDH1A1NPSR1CYP1A2CLK4 | |
| SCHEMBL14145477 | 0.74 | ALDH1A1 (0.36) | ALDH1A1NR2F2MAPK1 | |
| SCHEMBL4357885 | 0.70 | HTT (0.70) | HTTALDH1A1NPSR1CLK4CYP3A4 | |
| SCHEMBL3849787 | 0.69 | CHRM4 (0.58) | HTTALDH1A1NPSR1MTNR1BPDGFRB | |
| SCHEMBL22715242 | 0.69 | HTT (0.76) | HTTALDH1A1NPSR1CYP1A2CLK4 |
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 |