Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30295501 | 0.88 | NPBWR1 (0.45) | MAPTNPBWR1KDM4EALDH1A1ALOX15 | |
| SCHEMBL24828268 | 0.86 | CYP11B1 (0.41) | MAPTNPBWR1KDM4EALDH1A1ALOX15 | |
| SCHEMBL6990416 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24828414 | 0.78 | DCTPP1 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17773639 | 0.75 | NPBWR1 (0.47) | MAPTNPBWR1ALDH1A1CMA1 | |
| SCHEMBL17773619 | 0.75 | NPBWR1 (0.47) | MAPTNPBWR1CMA1 | |
| SCHEMBL3318304 | 0.73 | NPBWR1 (0.50) | MAPTNPBWR1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL24828267 | 0.72 | MAPT (0.67) | MAPTSMN1; SMN2GAARAB9AL3MBTL1 | |
| SCHEMBL30860079 | 0.72 | NPBWR1 (0.48) | NPBWR1CMA1 | |
| SCHEMBL13151306 | 0.72 | TOP2A (0.47) | MAPTNPBWR1L3MBTL1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465871-A1 | PYRAZOLE DERIVATIVES FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | Bayer Corporation (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003057673-A1 | 1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-17 | — | — | WO | disclosed |