Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.49 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4870532 | 0.90 | NOS1 (0.37) | NOS1IKBKETBK1LRRK2MET | |
| SCHEMBL3765188 | 0.89 | NOS1 (0.60) | NOS1IKBKETBK1LRRK2PIK3CA | |
| SCHEMBL3760468 | 0.84 | NOS1 (0.60) | NOS1LRRK2NUDT1PIK3CAMTOR | |
| SCHEMBL3755618 | 0.77 | NOS1 (0.62) | NOS1LRRK2NUDT1PIK3CAPIK3CD | |
| SCHEMBL3763426 | 0.76 | NOS1 (0.61) | NOS1LRRK2PIK3CAMTORPIM1 | |
| SCHEMBL3760285 | 0.74 | NOS1 (0.59) | NOS1LRRK2PIK3CAMTOR | |
| SCHEMBL3765490 | 0.74 | NOS1 (0.70) | NOS1LRRK2PIK3CAPIM1PIK3CD | |
| SCHEMBL3762264 | 0.73 | NOS1 (0.71) | NOS1PIK3CA | |
| SCHEMBL3757137 | 0.72 | IKBKE (0.46) | NOS1IKBKETBK1MET | |
| SCHEMBL3765592 | 0.70 | NOS1 (0.64) | NOS1NUDT1PIK3CAMTOR |
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 | disclosed |