Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIA | Q9BZP6 | 8/20 | 0.50 |
| ▸ | CHIT1 | Q13231 | 7/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL17285934 | 0.87 | HTR2A (0.52) | CHIACHIT1MAOBHTR2AHTR2C | |
| SCHEMBL1966648 | 0.87 | TAAR1 (0.47) | CHIACHIT1TAAR1MAOBHTR2A | |
| SCHEMBL22878154 | 0.86 | CHIA (0.47) | CHIACHIT1TAAR1MAOBKCNH2 | |
| SCHEMBL17282040 | 0.85 | CHIA (0.49) | CHIACHIT1TAAR1MAOBKCNH2 | |
| SCHEMBL17284585 | 0.83 | CHIA (0.46) | CHIACHIT1CYP2D6CHRM1HRH1 | |
| SCHEMBL17284552 | 0.83 | CHIA (0.60) | CHIACHIT1KCNH2SIGMAR1 | |
| SCHEMBL17284222 | 0.82 | CHIA (0.58) | CHIACHIT1TAAR1CYP2D6CHRM1 | |
| SCHEMBL21500956 | 0.82 | CHIA (0.47) | CHIACHIT1MAOBKCNH2CYP2D6 | |
| SCHEMBL17284559 | 0.81 | AOC3 (0.53) | CHIACHIT1KCNH2SIGMAR1 | |
| SCHEMBL17284446 | 0.74 | CHIT1 (0.46) | CHIACHIT1KCNH2CYP2D6CHRM1 |
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 |