Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 1/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 11/20 | 0.38 |
| ▸ | HTR2A | P28223 | 10/20 | 0.35 |
| ▸ | DRD3 | P35462 | 10/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3950179 | 0.82 | DRD2 (0.35) | DRD2HTR2ADRD3KEAP1SMN1; SMN2 | |
| SCHEMBL12397 | 0.82 | CYP1A2 (0.42) | DRD2HTR2ADRD3KEAP1SMN1; SMN2 | |
| SCHEMBL8099591 | 0.81 | KEAP1 (0.52) | GNAI3GNAO1GNAI1KEAP1SMN1; SMN2 | |
| SCHEMBL6942281 | 0.81 | KEAP1 (0.52) | GNAI3GNAO1GNAI1KEAP1SMN1; SMN2 | |
| SCHEMBL3950183 | 0.81 | CARM1 (0.46) | DRD2HTR2ADRD3ALDH1A1 | |
| SCHEMBL12120559 | 0.81 | ALOX15 (0.50) | GNAI3GNAO1GNAI1DRD2HTR2A | |
| SCHEMBL8235039 | 0.80 | GBA1 (0.41) | GNAI3GNAO1GNAI1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13062 | 0.80 | CYP1A2 (0.46) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28386967 | 0.78 | GBA1 (0.40) | GNAI3GNAO1GNAI1ALDH1A1 | |
| SCHEMBL3951154 | 0.78 | DRD2 (0.37) | GNAI3GNAO1GNAI1DRD2HTR2A |
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-2758389-B1 | PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |