Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 12/20 | 0.56 |
| ▸ | ITGA4 | P13612 | 12/20 | 0.56 |
| ▸ | JAK2 | O60674 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | JAK1 | P23458 | 1/20 | 0.53 |
| ▸ | TYK2 | P29597 | 1/20 | 0.53 |
| ▸ | CRACR2A | Q9BSW2 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6909115 | 0.83 | ITGB1 (0.56) | ITGB1ITGA4JAK2CYP3A4JAK1 | |
| SCHEMBL8258392 | 0.83 | RAB9A (0.56) | ITGB1ITGA4JAK2CYP3A4JAK1 | |
| SCHEMBL8269199 | 0.83 | TYK2 (0.60) | ITGB1ITGA4JAK2CYP3A4JAK1 | |
| SCHEMBL3514566 | 0.83 | TYK2 (0.75) | ITGB1ITGA4JAK2CYP3A4JAK1 | |
| SCHEMBL4063435 | 0.81 | ITGB1 (0.55) | ITGB1ITGA4JAK2CYP3A4JAK1 | |
| SCHEMBL4063160 | 0.81 | ITGB1 (0.64) | ITGB1ITGA4JAK2CYP3A4JAK1 | |
| SCHEMBL6514112 | 0.76 | ITGB1 (0.58) | ITGB1ITGA4JAK2CYP3A4JAK1 | |
| SCHEMBL6514115 | 0.76 | ITGB1 (0.65) | ITGB1ITGA4 | |
| SCHEMBL1706116 | 0.75 | TYK2 (0.69) | JAK2CYP3A4JAK1TYK2KMT2A | |
| SCHEMBL11552808 | 0.74 | KMT2A (0.54) | ITGB1ITGA4KMT2A |
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-2006023396-A2 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-02 | — | — | WO | disclosed |