Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 15/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 15/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | NPR3 | P17342 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4732917 | 0.87 | ITGB1 (0.47) | ITGB1ITGA4 | |
| SCHEMBL4735983 | 0.86 | ITGA4 (0.47) | ITGB1ITGA4ELANECYP3A4CYP2C9 | |
| SCHEMBL4786471 | 0.86 | ITGB1 (0.44) | ITGB1ITGA4ELANECYP3A4CYP2C9 | |
| SCHEMBL4736256 | 0.83 | ITGB1 (0.44) | ITGB1ITGA4 | |
| SCHEMBL3832796 | 0.79 | ITGB1 (0.47) | ITGB1ITGA4ELANENPR3CYP3A4 | |
| SCHEMBL4739188 | 0.79 | ITGB1 (0.45) | ITGB1ITGA4ELANECYP3A4CYP2C9 | |
| SCHEMBL3835880 | 0.78 | ITGB1 (0.46) | ITGB1ITGA4ELANECYP3A4CYP2C9 | |
| SCHEMBL4732361 | 0.77 | KCNQ2 (0.39) | ITGB1ITGA4NPR3 | |
| SCHEMBL6131677 | 0.76 | ITGB1 (0.51) | ITGB1ITGA4 | |
| SCHEMBL5149329 | 0.76 | ITGB1 (0.51) | ITGB1ITGA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | claimed |
| WO-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | disclosed |