Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.33 |
| ▸ | MET | P08581 | 2/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | IGF1R | P08069 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 3/20 | 0.31 |
| ▸ | CHUK | O15111 | 3/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.31 |
| ▸ | BCR | P11274 | 1/20 | 0.31 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12726573 | 0.85 | ALDH1A2 (0.43) | CYP3A4CYP19A1CYP2C9SYKCYP1A2 | |
| Hydrochloric Acid SCHEMBL1641763 | 0.84 | ALDH1A2 (0.42) | CYP3A4CYP19A1CYP2C9SYKCYP1A2 | |
| SCHEMBL12766425 | 0.80 | SYK (0.46) | SYKALDH1A2AURKAIGF1RABL1 | |
| Hydrochloric Acid SCHEMBL1640445 | 0.79 | SYK (0.46) | SYKALDH1A2AURKAIGF1RABL1 | |
| SCHEMBL12726554 | 0.69 | IKBKB (0.46) | SYKAURKAIGF1RIKBKBCHUK | |
| Hydrochloric Acid SCHEMBL1641781 | 0.68 | IKBKB (0.45) | SYKAURKAIGF1RIKBKBCHUK | |
| SCHEMBL12766551 | 0.66 | BRAF (0.53) | SYKAURKAIGF1RKCNH2 | |
| SCHEMBL13816040 | 0.66 | IGF1R (0.36) | SYKAURKARPS6KB1IGF1RIKBKB | |
| SCHEMBL12766967 | 0.64 | IKBKB (0.46) | SYKAURKAIGF1RIKBKBCHUK | |
| Hydrochloric Acid SCHEMBL1640793 | 0.63 | IKBKB (0.45) | SYKAURKAIGF1RIKBKBCHUK |
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-2009076140-A1 | THIAZOLE AND OXAZOLE KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-18 | — | — | WO | disclosed |