Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22004963 | 0.77 | PIK3CB (0.35) | DDB1CRBNCYP2A6PIK3CB | |
| SCHEMBL23937883 | 0.76 | GRM1 (0.40) | GRM1 | |
| SCHEMBL19203898 | 0.74 | PIK3CB (0.41) | SMN1; SMN2DDB1CRBNMAPTCYP2A6 | |
| SCHEMBL21958556 | 0.74 | KDM4E (0.44) | CYP2C9CYP2C19DDB1CRBNMAPT | |
| SCHEMBL23937730 | 0.73 | MEN1 (0.35) | GRM1SMN1; SMN2ALOX15 | |
| SCHEMBL23103463 | 0.70 | CHEK1 (0.35) | — | |
| SCHEMBL13437605 | 0.69 | CYP2A6 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CRBN | |
| SCHEMBL23937731 | 0.69 | PIK3CB (0.33) | PIK3CB | |
| SCHEMBL13514036 | 0.68 | DDB1 (0.37) | CYP1A2CYP3A4CYP2C9DDB1CRBN | |
| SCHEMBL13824599 | 0.68 | — | — |
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-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |