Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | NTSR1 | P30989 | 3/20 | 0.33 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3854358 | 0.95 | CHRM4 (0.41) | CHRM4GRIA1LRRK2NCF1PIK3CA | |
| SCHEMBL3847786 | 0.89 | CHRM4 (0.36) | CHRM4GRIA1LRRK2PDE1BCYP8B1 | |
| SCHEMBL3846323 | 0.88 | NCF1 (0.33) | CHRM4NCF1PIK3CAKDM4EMEN1 | |
| SCHEMBL3855264 | 0.86 | CHRM4 (0.42) | CHRM4PDE10APDE3BPDE3A | |
| SCHEMBL3847449 | 0.86 | CHRM4 (0.33) | CHRM4GRIA1CYP8B1 | |
| SCHEMBL3848728 | 0.84 | CHRM4 (0.39) | CHRM4GRIA1NCF1CYP8B1PIK3CA | |
| SCHEMBL3848852 | 0.83 | ALDH1A1 (0.43) | KDM4EMEN1ALDH1A1LMNACYP1A2 | |
| SCHEMBL3847996 | 0.83 | CHRM4 (0.43) | CHRM4GRIA1NCF1PIK3CAMTOR | |
| SCHEMBL3846957 | 0.82 | NCF1 (0.48) | NCF1ALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL3849596 | 0.82 | CHRM4 (0.44) | CHRM4NCF1PIK3CA |
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 |