Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17848762 | 0.81 | MEN1 (0.42) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10181521 | 0.79 | DRD2 (0.42) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5663968 | 0.78 | ADRA1D (0.41) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL31326844 | 0.77 | TAAR1 (0.50) | MEN1KMT2AMGLL | |
| SCHEMBL7623115 | 0.77 | MEN1 (0.42) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8337031 | 0.77 | TAAR1 (0.50) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7145103 | 0.77 | ADRA1D (0.39) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL3884582 | 0.77 | TAAR1 (0.50) | MEN1KMT2AMGLL | |
| SCHEMBL27961328 | 0.77 | ADRA1D (0.39) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5489246 | 0.76 | KEAP1 (0.47) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |