Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19158899 | 0.86 | GRM5 (0.62) | GRM5HRH3ITGB3ITGA2BALDH1A1 | |
| SCHEMBL26197364 | 0.82 | GRM5 (0.74) | GRM5HRH3ITGB3ITGA2BALDH1A1 | |
| SCHEMBL5986519 | 0.80 | OPRM1 (0.54) | CYP2C19ALDH1A1MAPK1CYP3A4HIF1A | |
| SCHEMBL24747258 | 0.79 | GRM5 (0.56) | GRM5HRH3ITGB3ITGA2BALDH1A1 | |
| SCHEMBL12683549 | 0.79 | GRM5 (0.69) | GRM5HRH3ITGB3ITGA2BALDH1A1 | |
| SCHEMBL20159548 | 0.77 | GRM5 (0.49) | GRM5HRH3ITGB3ITGA2BALDH1A1 | |
| SCHEMBL16730387 | 0.76 | GRM5 (0.51) | GRM5HRH3ITGB3ITGA2BALDH1A1 | |
| SCHEMBL15544126 | 0.75 | USP2 (0.58) | CYP2C19ALDH1A1MAPK1CYP3A4HIF1A | |
| SCHEMBL18256121 | 0.75 | GRM5 (0.50) | GRM5HRH3ITGB3ITGA2BALDH1A1 | |
| SCHEMBL22394198 | 0.75 | GRM5 (0.63) | GRM5HRH3ITGB3ITGA2BALDH1A1 |
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-3196199-A2 | SUBSTITUTED N-(PYRROLIDINE-3-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE AS JANUS KINASE INHIBITOR | Yang Ji Chemical Co., Ltd. (KR) | 2017-07-26 | — | — | EP | disclosed |