Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 11/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 11/20 | 0.49 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.49 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC5R | P33032 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6644011 | 1.00 | ITGB1 (0.49) | ITGB1ITGA4ITGB7ITGA2NPC1 | |
| SCHEMBL6872266 | 0.93 | ITGB1 (0.59) | ITGB1ITGA4ITGB7ITGA2NPC1 | |
| SCHEMBL6743406 | 0.89 | ITGB1 (0.50) | ITGB1ITGA4ITGB7ITGA2NPC1 | |
| SCHEMBL6640067 | 0.78 | ITGB1 (0.55) | ITGB1ITGA4ITGB7ITGA2 | |
| SCHEMBL6637935 | 0.78 | ITGB1 (0.55) | ITGB1ITGA4ITGB7ITGA2 | |
| Hydrochloric Acid SCHEMBL6640058 | 0.78 | ITGB1 (0.54) | ITGB1ITGA4ITGB7ITGA2 | |
| Hydrochloric Acid SCHEMBL27516016 | 0.78 | ITGB1 (0.54) | ITGB1ITGA4ITGB7ITGA2 | |
| Hydrochloric Acid SCHEMBL6637929 | 0.78 | ITGB1 (0.54) | ITGB1ITGA4ITGB7ITGA2 | |
| SCHEMBL18609373 | 0.77 | ALDH1A1 (0.55) | NPC1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL18577419 | 0.77 | ALDH1A1 (0.55) | NPC1MEN1KMT2ALMNANPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1005445-A1 | N-ALKANOYLPHENYLALANINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999010312-A1 | N-ALKANOYLPHENYLALANINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-04 | — | — | WO | disclosed |