Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CB | P42338 | 2/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 5/20 | 0.45 |
| ▸ | KDR | P35968 | 5/20 | 0.45 |
| ▸ | EPHB4 | P54760 | 5/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | ELOVL1 | Q9BW60 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27321631 | 0.83 | CYP2C19 (0.52) | PIK3CBFGFR1KDREPHB4CYP2C19 | |
| SCHEMBL28054609 | 0.78 | SMN1; SMN2 (0.54) | CYP2C19HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL15359978 | 0.73 | CYP2C19 (0.58) | PIK3CBCYP2C19ELOVL1HTTSMN1; SMN2 | |
| SCHEMBL27335946 | 0.73 | PIK3CB (0.59) | PIK3CBNCF1NPC1RAB9A | |
| SCHEMBL19027033 | 0.71 | CYP2C19 (0.54) | PIK3CBCYP2C19ELOVL1HTTSMN1; SMN2 | |
| SCHEMBL13470426 | 0.70 | RAF1 (0.51) | SMN1; SMN2NPC1RAB9AMAP2K7 | |
| SCHEMBL17671429 | 0.70 | CYP1A2 (0.48) | FGFR1KDREPHB4CYP2C19 | |
| SCHEMBL2459118 | 0.70 | PIK3CA (0.54) | PIK3CBCYP2C19NCF1ELOVL1HTT | |
| SCHEMBL21228688 | 0.69 | CYP1A2 (0.52) | CYP2C19NCF1HTTSMN1; SMN2NPC1 | |
| SCHEMBL31110333 | 0.67 | CYP2C19 (0.68) | PIK3CBCYP2C19ELOVL1HTTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1047778-C | Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them | THOMAE GMBH DR K (DE) | 1999-12-29 | — | — | CN | disclosed |