Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAL | P20701 | 7/20 | 0.49 |
| ▸ | ITGB2 | P05107 | 6/20 | 0.49 |
| ▸ | ICAM1 | P05362 | 6/20 | 0.49 |
| ▸ | NOS3 | P29474 | 3/20 | 0.46 |
| ▸ | NOS1 | P29475 | 3/20 | 0.46 |
| ▸ | NOS2 | P35228 | 3/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6505214 | 1.00 | ITGAL (0.49) | ITGALITGB2ICAM1NOS3NOS1 | |
| SCHEMBL6498278 | 0.92 | ITGAL (0.52) | ITGALITGB2ICAM1CAPN1KMT2A | |
| SCHEMBL6497780 | 0.92 | ITGAL (0.52) | ITGALITGB2ICAM1CAPN1KMT2A | |
| SCHEMBL8297625 | 0.92 | ITGAL (0.52) | ITGALITGB2ICAM1CAPN1KMT2A | |
| SCHEMBL8297136 | 0.88 | ITGAL (0.53) | ITGALITGB2ICAM1CAPN1KDM4E | |
| SCHEMBL6533299 | 0.88 | ITGAL (0.53) | ITGALITGB2ICAM1CAPN1KDM4E | |
| SCHEMBL6533298 | 0.88 | ITGAL (0.53) | ITGALITGB2ICAM1CAPN1KDM4E | |
| SCHEMBL8298637 | 0.86 | CAPN1 (0.53) | ITGALITGB2ICAM1NOS3NOS1 | |
| SCHEMBL6506580 | 0.85 | ITGAL (0.49) | ITGALITGB2ICAM1CAPN1KDM4E | |
| SCHEMBL8298603 | 0.85 | ITGAL (0.49) | ITGALITGB2ICAM1CAPN1KDM4E |
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-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |