Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.56 |
| ▸ | CYP46A1 | Q9Y6A2 | 11/20 | 0.53 |
| ▸ | CDK8 | P49336 | 3/20 | 0.45 |
| ▸ | CCNC | P24863 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845241 | 0.86 | NCF1 (0.61) | NCF1PPARGATMRXFP1NCOR2 | |
| SCHEMBL13874356 | 0.86 | NCF1 (0.48) | NCF1CYP46A1CDK8PPARGATM | |
| SCHEMBL14145384 | 0.85 | NCF1 (0.60) | NCF1PPARGATMRXFP1NCOR2 | |
| SCHEMBL3846343 | 0.81 | NCF1 (0.58) | NCF1CDK8ALDH1A1 | |
| SCHEMBL3846599 | 0.81 | ALDH1A1 (0.56) | NCF1ALDH1A1 | |
| SCHEMBL3846166 | 0.79 | NCF1 (0.53) | NCF1ALDH1A1CHRM4 | |
| SCHEMBL528900 | 0.79 | NCF1 (0.58) | NCF1ALDH1A1CHRM4 | |
| SCHEMBL3848120 | 0.79 | NCF1 (0.50) | NCF1CDK8PPARGATMRXFP1 | |
| SCHEMBL21190487 | 0.78 | NCF1 (0.67) | NCF1ALDH1A1SLC22A12CHRM4 | |
| SCHEMBL3848808 | 0.77 | NCF1 (0.48) | NCF1PPARGATMRXFP1NCOR2 |
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 |