Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.37 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17395977 | 0.92 | CYP2C19 (0.42) | CYP2C19CTSLCTSBCTSKTMEM97 | |
| SCHEMBL17395976 | 0.92 | CYP2C19 (0.42) | CYP2C19CTSLCTSBCTSKTMEM97 | |
| SCHEMBL2857739 | 0.74 | SMN1; SMN2 (0.58) | CYP2C19GRIN2B | |
| SCHEMBL38659290 | 0.73 | SLC6A2 (0.44) | CYP2C19CTSLCTSBCTSKTMEM97 | |
| SCHEMBL22528421 | 0.73 | TSHR (0.45) | GAA | |
| SCHEMBL11217794 | 0.73 | OPRL1 (0.57) | CYP2C19DRD2DRD3 | |
| SCHEMBL20986826 | 0.72 | SMN1; SMN2 (0.49) | CYP2C19TMEM97SIGMAR1HRH3DRD3 | |
| SCHEMBL23583709 | 0.70 | CTSL (0.53) | CYP2C19CTSLCTSBCTSKTMEM97 | |
| SCHEMBL1988191 | 0.70 | CTSL (0.53) | CYP2C19CTSLCTSBCTSKTMEM97 | |
| SCHEMBL1438982 | 0.70 | CTSL (0.53) | CYP2C19CTSLCTSBCTSKTMEM97 |
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-2016001789-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITORS FOR USE IN THE TREATMENT OF CANCER | PFIZER INC. (US) | 2016-01-07 | — | — | WO | disclosed |