Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 6/20 | 0.33 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL13013622 | 1.00 | PIK3CA (0.36) | PIK3CAMTORPRKDCTTKTYK2 | |
| SCHEMBL3716732 | 0.92 | TYK2 (0.34) | TTKTYK2NTRK1CNR1CNR2 | |
| SCHEMBL3716735 | 0.92 | TYK2 (0.34) | TTKTYK2NTRK1CNR1CNR2 | |
| SCHEMBL3720201 | 0.91 | CCNE1 (0.38) | TYK2NTRK1 | |
| SCHEMBL3721600 | 0.91 | CCNE1 (0.38) | TYK2NTRK1 | |
| SCHEMBL3724207 | 0.86 | PIK3CA (0.39) | PIK3CAMTORPRKDCTTKTYK2 | |
| SCHEMBL3726760 | 0.86 | PIK3CA (0.39) | PIK3CAMTORPRKDCTTKTYK2 | |
| SCHEMBL3719962 | 0.85 | NOD2 (0.37) | TRPV1 | |
| SCHEMBL3722136 | 0.81 | CCNE1 (0.39) | TYK2 | |
| SCHEMBL13062313 | 0.80 | TYK2 (0.45) | TTKTYK2PDE4D |
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-2009100375-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-13 | — | — | WO | disclosed |