Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 4/20 | 0.40 |
| ▸ | NOS1 | P29475 | 4/20 | 0.40 |
| ▸ | NOS2 | P35228 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL4752524 | 0.81 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL1180779 | 0.79 | PIK3CA (0.44) | SMN1; SMN2ALDH1A1KDM4ENOS3NOS1 | |
| SCHEMBL190986 | 0.79 | PIK3CA (0.50) | — | |
| SCHEMBL4789276 | 0.79 | ATR (0.60) | — | |
| SCHEMBL13982353 | 0.78 | ATR (0.50) | SMN1; SMN2CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL1181000 | 0.74 | PIK3CA (0.46) | — | |
| SCHEMBL1181526 | 0.73 | PIK3CD (0.45) | ALDH1A1KDM4ENOS3NOS1NOS2 | |
| SCHEMBL4754592 | 0.73 | HRH3 (0.56) | SMN1; SMN2HRH3 | |
| SCHEMBL3776763 | 0.72 | SMN1; SMN2 (0.61) | SMN1; SMN2ALDH1A1KDM4EPOLBHPGD | |
| SCHEMBL17286022 | 0.72 | SIGMAR1 (0.56) | ALDH1A1KDM4ENOS3NOS1NOS2 |
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-2008152387-A1 | QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-12-18 | — | — | WO | disclosed |