Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 17/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 17/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3698356 | 0.81 | MMP1 (0.66) | ITGB1ITGA4MMP1 | |
| SCHEMBL3698358 | 0.81 | MMP1 (0.66) | ITGB1ITGA4MMP1 | |
| SCHEMBL3701146 | 0.80 | MMP1 (0.48) | ITGB1ITGA4MMP1 | |
| SCHEMBL3701143 | 0.80 | MMP1 (0.48) | ITGB1ITGA4MMP1 | |
| SCHEMBL7539221 | 0.74 | PSMB1 (0.48) | ITGB1ITGA4MMP1 | |
| SCHEMBL7540140 | 0.74 | ITGB1 (0.67) | ITGB1ITGA4 | |
| SCHEMBL3709738 | 0.74 | ITGB1 (0.67) | ITGB1ITGA4 | |
| SCHEMBL3709737 | 0.74 | ITGB1 (0.67) | ITGB1ITGA4 | |
| SCHEMBL8739536 | 0.74 | HDAC1 (0.52) | ITGB1ITGA4MMP1 | |
| SCHEMBL16214799 | 0.72 | ITGB1 (0.39) | ITGB1ITGA4MMP1 |
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-2012065953-A1 | SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS | NOVARTIS AG (CH) | 2012-05-24 | — | — | WO | disclosed |