Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3845844 | 0.86 | PHGDH (0.47) | MAPKAPK2DRD2DRD3ADRA1AMAPT | |
| SCHEMBL3846521 | 0.85 | MAPKAPK2 (0.46) | MAPKAPK2ALDH1A1 | |
| SCHEMBL3850389 | 0.84 | MAPKAPK2 (0.39) | MAPKAPK2DHFRDRD2DRD3ADRA1A | |
| SCHEMBL3848119 | 0.83 | MAPKAPK2 (0.44) | MAPKAPK2DHFRDRD2DRD3ADRA1A | |
| SCHEMBL3851514 | 0.79 | CHRM4 (0.42) | NCF1 | |
| Hydrochloric Acid SCHEMBL3847773 | 0.79 | MAPKAPK2 (0.47) | MAPKAPK2DHFRDRD2DRD3ADRA1A | |
| SCHEMBL3846401 | 0.77 | ALK (0.36) | MAPKAPK2GRM4NCF1 | |
| SCHEMBL3846556 | 0.77 | NCF1 (0.56) | MAPKAPK2DHFRDRD2DRD3MAPT | |
| SCHEMBL3845891 | 0.76 | ACHE (0.47) | MAPTALDH1A1TSHRSMN1; SMN2TP53 | |
| SCHEMBL5852369 | 0.76 | CYP1A2 (0.43) | MAPTALDH1A1TSHRSMN1; SMN2TP53 |
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 |