Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.45 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 2/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23978900 | 0.90 | FOLH1 (0.45) | ITGB1ITGA5FOLH1ITGALITGB2 | |
| SCHEMBL23978696 | 0.89 | TACR1 (0.46) | NPC1MEN1HCRTR1KMT2AAPEX1 | |
| SCHEMBL23978899 | 0.88 | ITGB1 (0.43) | ITGB1ITGA5C3AR1ITGALITGA4 | |
| SCHEMBL23979033 | 0.88 | MEN1 (0.57) | ITGB1MEN1KMT2AITGA4 | |
| SCHEMBL23979010 | 0.88 | NPC1 (0.42) | NPC1MEN1HCRTR1KMT2AAPEX1 | |
| SCHEMBL3866964 | 0.85 | ITGAL (0.49) | NPC1ITGB1ITGA5MEN1KMT2A | |
| SCHEMBL23978942 | 0.84 | ITGB1 (0.46) | NPC1ITGB1ITGA5MEN1HCRTR1 | |
| SCHEMBL23978567 | 0.84 | ITGB1 (0.46) | NPC1ITGB1ITGA5MEN1HCRTR1 | |
| SCHEMBL30279319 | 0.84 | ITGB1 (0.46) | NPC1ITGB1ITGA5MEN1HCRTR1 | |
| SCHEMBL21376628 | 0.83 | ITGB1 (0.49) | ITGB1ITGA5FOLH1ITGALITGB2 |
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-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |