Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | IDE | P14735 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3849050 | 0.93 | AKR1C3 (0.43) | MTORPDGFRBDRD2DRD3KDM4E | |
| SCHEMBL3850111 | 0.89 | MTOR (0.39) | MTORPDGFRBDRD2DRD3KDM4E | |
| SCHEMBL3846231 | 0.86 | MAPKAPK2 (0.46) | KDM4ECYP3A4HPGDALDH1A1MAPK1 | |
| SCHEMBL3848141 | 0.86 | CYP3A4 (0.50) | MTORPDGFRBSLC22A12KDM4ECYP3A4 | |
| SCHEMBL3847491 | 0.85 | CYP2C19 (0.45) | MTORPDGFRBCYP3A4ALDH1A1MAPK1 | |
| SCHEMBL3850354 | 0.85 | NCF1 (0.48) | MTORCYP3A4ALDH1A1 | |
| SCHEMBL3845802 | 0.82 | CTSS (0.37) | MTORPDGFRBKDM4ECYP3A4CTSS | |
| SCHEMBL3846433 | 0.82 | AKR1C3 (0.42) | PDGFRBKDM4EMAPTHPGDALDH1A1 | |
| SCHEMBL3844619 | 0.81 | MAPKAPK2 (0.40) | CTSS | |
| SCHEMBL3848728 | 0.81 | CHRM4 (0.39) | MTORPDGFRBCYP3A4HPGDCYP8B1 |
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 |