Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 7/20 | 0.57 |
| ▸ | BCL2 | P10415 | 5/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7340357 | 1.00 | ITGA4 (0.57) | ITGA4BCL2MCL1HDAC8ITGB3 | |
| SCHEMBL838170 | 0.89 | ITGA4 (0.62) | ITGA4ITGB3ITGA2BITGB1PTPN1 | |
| SCHEMBL4417313 | 0.89 | ITGA4 (0.62) | ITGA4ITGB3ITGA2BITGB1PTPN1 | |
| SCHEMBL1309887 | 0.89 | ITGA4 (0.62) | ITGA4ITGB3ITGA2BITGB1PTPN1 | |
| SCHEMBL10883351 | 0.88 | ITGA4 (0.52) | ITGA4BCL2MCL1HDAC8ITGB3 | |
| SCHEMBL5833552 | 0.85 | BCL2 (0.68) | BCL2MCL1HDAC8ITGB3ITGA2B | |
| SCHEMBL5833558 | 0.85 | BCL2 (0.68) | BCL2MCL1HDAC8ITGB3ITGA2B | |
| SCHEMBL10939298 | 0.84 | PSMB1 (0.50) | ITGA4BCL2MCL1HDAC8 | |
| SCHEMBL3334221 | 0.84 | BCL2 (0.50) | ITGA4BCL2MCL1HDAC8ITGB3 | |
| SCHEMBL10945240 | 0.84 | REN (0.53) | ITGA4BCL2MCL1HDAC8ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6423689-B1 | Peptidyl calcium channel blockers | WARNER-LAMBERT COMPANY | 2002-07-23 | — | — | US | disclosed |