Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.42 |
| ▸ | MTOR | P42345 | 3/20 | 0.42 |
| ▸ | ATR | Q13535 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3755300 | 0.85 | NOS1 (0.67) | NOS1PIK3CAMTORATRCYP2C9 | |
| SCHEMBL4796117 | 0.84 | NOS1 (0.51) | NOS1PIK3CAMTORPIK3CGAKT1 | |
| SCHEMBL3760218 | 0.84 | NOS1 (0.71) | NOS1PIK3CAMTORATRPIK3CG | |
| SCHEMBL3755502 | 0.82 | NOS1 (0.74) | NOS1PIK3CAMTORPIK3CGAKT1 | |
| SCHEMBL3760392 | 0.76 | NOS1 (0.72) | NOS1PIK3CAMTORPIK3CGJAK2 | |
| SCHEMBL3755637 | 0.76 | NOS1 (0.72) | NOS1PIK3CAMTORATRPIK3CG | |
| SCHEMBL3765478 | 0.75 | NOS1 (0.67) | NOS1PIK3CAMTORAKT1 | |
| SCHEMBL3758149 | 0.75 | NOS1 (0.74) | NOS1PIK3CAMTORPIK3CGPRKDC | |
| SCHEMBL3760949 | 0.74 | NOS1 (0.69) | NOS1PIK3CAMTORJAK2 | |
| SCHEMBL20985856 | 0.72 | NOS1 (0.66) | NOS1PIK3CAMTORATRPIK3CG |
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-2008009079-A2 | SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS | GILEAD SCIENCES, INC. (US) | 2008-01-24 | — | — | WO | claimed |