Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 5/20 | 0.50 |
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CAMKK1 | Q8N5S9 | 4/20 | 0.47 |
| ▸ | CAMKK2 | Q96RR4 | 4/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3844913 | 0.91 | PDK1 (0.50) | DHODHPTGESALDH1A1ALOX5CYP2C9 | |
| SCHEMBL3846925 | 0.83 | JAK3 (0.48) | ALDH1A1CAMKK1CAMKK2PDK1PDK2 | |
| SCHEMBL3845659 | 0.80 | TAS1R3 (0.53) | ALDH1A1HPGDRAF1BRAF | |
| SCHEMBL14145475 | 0.77 | MAP4K4 (0.50) | PDK1PDK2PDK3PDK4KMO | |
| SCHEMBL3846537 | 0.77 | CAMKK1 (0.48) | CAMKK1CAMKK2PDK1PDK2PDK3 | |
| SCHEMBL3846054 | 0.76 | PDK1 (0.46) | ALDH1A1HPGDCAMKK1CAMKK2PDK1 | |
| SCHEMBL10718258 | 0.74 | ADORA2A (0.62) | ALDH1A1HPGDCASP7HIF1APDK1 | |
| SCHEMBL3848535 | 0.74 | CAMKK1 (0.45) | CAMKK1CAMKK2 | |
| SCHEMBL283203 | 0.72 | ALDH1A1 (0.65) | ALDH1A1HSD17B10MRGPRX4KMO | |
| SCHEMBL30396748 | 0.72 | ALDH1A1 (0.65) | ALDH1A1HSD17B10MRGPRX4KMO |
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 6 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-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 |
| 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 |