Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.47 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17284599 | 0.87 | LTA4H (0.55) | GRIN2BKDM4EALDH1A1HRH3HRH4 | |
| SCHEMBL22878155 | 0.85 | GRIN2B (0.52) | GRIN2BKDM4EALDH1A1HRH3HRH4 | |
| SCHEMBL8442356 | 0.85 | KDM4E (0.68) | GRIN2BKDM4EALDH1A1HRH3HRH4 | |
| SCHEMBL17284457 | 0.84 | HRH3 (0.49) | KDM4EALDH1A1HRH3HRH4LTA4H | |
| SCHEMBL17284455 | 0.84 | HRH3 (0.49) | KDM4EALDH1A1HRH3HRH4CYP2D6 | |
| SCHEMBL17284222 | 0.84 | CHIA (0.58) | GRIN2BSLC18A3CYP2D6CHRM1HRH1 | |
| SCHEMBL3375289 | 0.84 | GRIN2B (0.61) | GRIN2BKDM4EALDH1A1HRH3HRH4 | |
| SCHEMBL13080536 | 0.83 | OPRM1 (0.54) | GRIN2BKDM4EALDH1A1HRH3HRH4 | |
| SCHEMBL17284458 | 0.82 | SLC6A2 (0.60) | SIGMAR1 | |
| SCHEMBL17284490 | 0.82 | SIGMAR1 (0.48) | GRIN2BKDM4EALDH1A1SIGMAR1NOS3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015177326-A1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-26 | — | — | WO | disclosed |