Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | BACE1 | P56817 | 3/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL3856238 | 0.83 | HTT (0.60) | HTTALDH1A1NPSR1ACHEBACE1 | |
| SCHEMBL3848366 | 0.82 | HTT (0.57) | HTTALDH1A1NPSR1ACHEBACE1 | |
| SCHEMBL3846080 | 0.81 | HTT (0.58) | HTTALDH1A1NPSR1ACHEBACE1 | |
| Hydrochloric Acid SCHEMBL3844654 | 0.80 | AKT1 (0.47) | HTTALDH1A1ACHEBACE1MAPK1 | |
| SCHEMBL30734225 | 0.80 | HTT (0.67) | HTTALDH1A1NPSR1ACHEBACE1 | |
| SCHEMBL3847513 | 0.76 | CYP3A4 (0.42) | HTTALDH1A1MAPK1MEN1LMNA | |
| SCHEMBL4351530 | 0.75 | HTT (0.71) | HTTALDH1A1NPSR1ACHEBACE1 | |
| SCHEMBL3848130 | 0.75 | HTT (0.71) | HTTALDH1A1NPSR1ACHEBACE1 | |
| SCHEMBL4349956 | 0.74 | HTT (1.00) | HTTALDH1A1NPSR1ACHEBACE1 | |
| SCHEMBL30734188 | 0.74 | HTT (0.69) | HTTALDH1A1NPSR1ACHEBACE1 |
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 |