Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.43 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17286021 | 0.87 | NOS2 (0.59) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL1239203 | 0.86 | HRH3 (0.59) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL17284455 | 0.86 | HRH3 (0.49) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL22878383 | 0.84 | HRH3 (0.50) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL22878155 | 0.83 | GRIN2B (0.52) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL17282142 | 0.83 | HRH3 (0.46) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL22878388 | 0.82 | SIGMAR1 (0.49) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL22878355 | 0.81 | HRH3 (0.47) | HRH3HRH4KDM4EALDH1A1CHIT1 | |
| SCHEMBL29101926 | 0.81 | LTA4H (0.47) | HRH3HRH4NOS3NOS1NOS2 | |
| SCHEMBL22878462 | 0.80 | NOS3 (0.46) | HRH3HRH4NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3145929-B1 | 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-01-13 | — | — | EP | disclosed |