Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.35 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 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 | |
|---|---|---|---|---|
| SCHEMBL5273095 | 0.86 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP2D6MEN1CYP2C19 | |
| SCHEMBL15150643 | 0.82 | MEN1 (0.49) | CYP1A2CYP3A4CYP2D6MEN1CYP2C19 | |
| SCHEMBL4888961 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CTSB | |
| SCHEMBL19974316 | 0.78 | MAOB (0.44) | CYP1A2CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL2024322 | 0.77 | CTSB (0.53) | CYP1A2CYP3A4CYP2D6MEN1CYP2C19 | |
| SCHEMBL778643 | 0.77 | IDO1 (0.52) | MEN1KMT2A | |
| SCHEMBL10962586 | 0.77 | IDO1 (0.52) | — | |
| SCHEMBL7957997 | 0.77 | IDO1 (0.52) | CYP1A2CYP3A4CYP2D6KMT2ANR3C1 | |
| SCHEMBL20462961 | 0.77 | IDO1 (0.52) | CYP1A2CYP3A4CYP2D6 | |
| Hydrogen Sulfide SCHEMBL27764015 | 0.77 | MAOB (0.42) | CYP1A2CYP3A4CYP2D6MEN1KMT2A |
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 |