Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.45 |
| ▸ | NOS1 | P29475 | 4/20 | 0.45 |
| ▸ | NOS2 | P35228 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22878462 | 0.88 | NOS3 (0.46) | NOS3NOS1NOS2CYP2D6CYP1A2 | |
| SCHEMBL17285895 | 0.88 | NOS2 (0.59) | NOS3NOS1NOS2CYP2D6CYP1A2 | |
| SCHEMBL17282102 | 0.85 | NOS3 (0.43) | NOS3NOS1NOS2CYP2D6CYP1A2 | |
| SCHEMBL17284455 | 0.80 | HRH3 (0.49) | NOS3NOS1NOS2CYP2D6KDM4E | |
| SCHEMBL17284490 | 0.78 | SIGMAR1 (0.48) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL17284457 | 0.77 | HRH3 (0.49) | NOS3NOS1NOS2KDM4EHRH3 | |
| SCHEMBL17284454 | 0.77 | SIGMAR1 (0.55) | NOS3NOS1NOS2CYP2D6CYP1A2 | |
| SCHEMBL17284458 | 0.76 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3KCNH2SIGMAR1 | |
| SCHEMBL17284204 | 0.74 | GRIN2B (0.51) | NOS3NOS1NOS2CYP2D6KDM4E | |
| SCHEMBL17284449 | 0.74 | SLC6A2 (0.46) | KDM4EALDH1A1SLC6A2SLC6A4LMNA |
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 |