Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.56 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.56 |
| ▸ | TYK2 | P29597 | 2/20 | 0.53 |
| ▸ | JAK2 | O60674 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | JAK1 | P23458 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CRACR2A | Q9BSW2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11561248 | 0.88 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL8268504 | 0.83 | ITGB1 (0.56) | ITGB1ITGA4TYK2JAK2CYP3A4 | |
| SCHEMBL6909115 | 0.83 | ITGB1 (0.56) | RAB9AITGB1ITGA4TYK2JAK2 | |
| SCHEMBL7384072 | 0.83 | TYK2 (0.65) | RAB9ANPC1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL3514566 | 0.83 | TYK2 (0.75) | ITGB1ITGA4TYK2JAK2CYP3A4 | |
| SCHEMBL8269199 | 0.83 | TYK2 (0.60) | RAB9ANPC1SMN1; SMN2ITGB1ITGA4 | |
| SCHEMBL4063160 | 0.81 | ITGB1 (0.64) | ITGB1ITGA4TYK2JAK2CYP3A4 | |
| SCHEMBL4063435 | 0.81 | ITGB1 (0.55) | ITGB1ITGA4TYK2JAK2CYP3A4 | |
| SCHEMBL6514112 | 0.79 | ITGB1 (0.58) | ITGB1ITGA4TYK2JAK2CYP3A4 | |
| SCHEMBL22839544 | 0.76 | RAB9A (0.58) | RAB9ANPC1SMN1; SMN2ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006115918-A2 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2006-11-02 | — | — | WO | disclosed |
| WO-2006023396-A2 | VLA-4 ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-02 | — | — | WO | disclosed |