Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 3/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6515884 | 0.94 | ITGB3 (0.46) | ITGB1ITGA4ITGB3ITGA2BITGAV | |
| SCHEMBL6513196 | 0.84 | ITGB1 (0.53) | ITGB1ITGA4KMT2A | |
| SCHEMBL6509549 | 0.83 | ITGB1 (0.63) | ITGB1ITGA4 | |
| SCHEMBL6509698 | 0.83 | ITGB1 (0.48) | ITGB1ITGA4ITGB3ITGA2BRAB9A | |
| SCHEMBL7099933 | 0.80 | ITGB1 (0.61) | ITGB1ITGA4NR1H4 | |
| SCHEMBL7099935 | 0.80 | ITGB1 (0.61) | ITGB1ITGA4NR1H4 | |
| SCHEMBL6512395 | 0.80 | ITGB1 (0.49) | ITGB1ITGA4KMT2A | |
| SCHEMBL6514009 | 0.80 | ITGB1 (0.58) | ITGB1ITGA4KMT2ANPC1RAB9A | |
| SCHEMBL6512380 | 0.77 | ITGA4 (0.50) | ITGB1ITGA4ITGB3ITGA2BSMN1; SMN2 | |
| SCHEMBL6509525 | 0.76 | ITGB1 (0.52) | ITGB1ITGA4KMT2AEPHX2NPC1 |
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-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |