Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 7/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30734136 | 0.86 | HTT (0.55) | HTTNPSR1ALDH1A1CHRM4PDGFRB | |
| SCHEMBL3846163 | 0.83 | NCF1 (0.52) | CHRM4CYP2C9 | |
| SCHEMBL30734240 | 0.81 | HTT (0.56) | HTTNPSR1ALDH1A1CHRM4PDGFRB | |
| SCHEMBL3851360 | 0.77 | HTT (0.49) | HTTNPSR1ALDH1A1CHRM4PDGFRB | |
| SCHEMBL3846839 | 0.76 | STAT3 (0.61) | HTTNPSR1ALDH1A1CHRM4PDGFRB | |
| SCHEMBL3844439 | 0.76 | SLC2A1 (0.57) | HTTNPSR1ALDH1A1HPGDLMNA | |
| SCHEMBL3847712 | 0.75 | HTT (0.61) | HTTNPSR1ALDH1A1PDGFRBHPGD | |
| SCHEMBL2882362 | 0.75 | HTT (0.46) | HTTCHRM4PDGFRBHPGDLMNA | |
| SCHEMBL30734225 | 0.75 | HTT (0.67) | HTTNPSR1ALDH1A1PDGFRBLMNA | |
| SCHEMBL22715242 | 0.73 | HTT (0.76) | HTTNPSR1ALDH1A1PDGFRBHPGD |
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 |