Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 16/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 16/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4737637 | 0.89 | ITGB1 (0.42) | ITGB1ITGA4ELANE | |
| SCHEMBL4733784 | 0.87 | MAPT (0.52) | ITGB1ITGA4NPC1RAB9AMAPT | |
| SCHEMBL4736663 | 0.87 | ITGB1 (0.44) | ITGB1ITGA4NPC1RAB9AMAPT | |
| SCHEMBL4736897 | 0.87 | MMP1 (0.39) | ITGB1ITGA4ELANE | |
| SCHEMBL4739188 | 0.86 | ITGB1 (0.45) | ITGB1ITGA4NPC1RAB9AMAPT | |
| SCHEMBL4786471 | 0.85 | ITGB1 (0.44) | ITGB1ITGA4CYP3A4CYP2C9ELANE | |
| SCHEMBL4750220 | 0.84 | ITGB1 (0.44) | ITGB1ITGA4CYP3A4ELANE | |
| SCHEMBL4750224 | 0.84 | ITGB1 (0.44) | ITGB1ITGA4CYP3A4ELANE | |
| SCHEMBL4735983 | 0.84 | ITGA4 (0.47) | ITGB1ITGA4CYP3A4CYP2C9ELANE | |
| SCHEMBL3832796 | 0.83 | ITGB1 (0.47) | ITGB1ITGA4MAPTCYP3A4CYP2C9 |
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-2008064830-A1 | BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR PHARMACEUTICAL USES | UCB PHARMA, S.A. (BE) | 2008-06-05 | — | — | WO | claimed |