Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 7/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | ENPP1 | P22413 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3849032 | 0.78 | AKT1 (0.51) | HTTALDH1A1ENPP1CYP1A2CYP2D6 | |
| SCHEMBL22715242 | 0.77 | HTT (0.76) | HTTNPSR1ALDH1A1ENPP1CYP1A2 | |
| SCHEMBL29472072 | 0.77 | HTT (0.76) | HTTNPSR1ALDH1A1ENPP1CYP1A2 | |
| SCHEMBL3115181 | 0.76 | HTT (0.74) | HTTNPSR1ALDH1A1ENPP1LMNA | |
| SCHEMBL3847712 | 0.75 | HTT (0.61) | HTTNPSR1ALDH1A1ENPP1CYP1A2 | |
| SCHEMBL11015371 | 0.74 | ENPP1 (0.75) | ENPP1ACHEBACE1MAPK1 | |
| SCHEMBL3847535 | 0.74 | CYP3A4 (0.43) | ALDH1A1ENPP1CYP1A2CYP2D6LMNA | |
| SCHEMBL3845787 | 0.74 | CYP3A4 (0.45) | HTTALDH1A1ENPP1CYP1A2CYP2D6 | |
| SCHEMBL18895539 | 0.74 | HTT (0.59) | HTTNPSR1ALDH1A1ENPP1CYP1A2 | |
| SCHEMBL3117120 | 0.73 | HTT (0.70) | HTTNPSR1ALDH1A1CYP1A2CYP2D6 |
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 |