Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 10/20 | 0.56 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.56 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGAV | P06756 | 1/20 | 0.54 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.54 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.54 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.53 |
| ▸ | KIFC1 | Q9BW19 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TLR3 | O15455 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5927016 | 0.88 | KIFC1 (0.60) | ITGB1ITGA4ITGB7GPR34KIFC1 | |
| SCHEMBL4827784 | 0.82 | ECE1 (0.53) | ITGB1ITGA4ITGB7ERAP1GPR34 | |
| SCHEMBL4827782 | 0.82 | ECE1 (0.53) | ITGB1ITGA4ITGB7ERAP1GPR34 | |
| SCHEMBL5692215 | 0.81 | CTSA (0.57) | — | |
| SCHEMBL3994928 | 0.81 | ITGB1 (0.61) | ITGB1ITGA4ERAP1ACEPDK1 | |
| SCHEMBL4829604 | 0.80 | ERAP1 (0.51) | ITGB1ITGA4ITGB7ERAP1GPR34 | |
| SCHEMBL4829599 | 0.80 | ERAP1 (0.51) | ITGB1ITGA4ITGB7ERAP1GPR34 | |
| SCHEMBL5926890 | 0.80 | ITGB1 (0.62) | ITGB1ITGA4MMEACEACE2 | |
| SCHEMBL8279347 | 0.80 | ITGB1 (0.64) | ITGB1ITGA4ITGB7ITGB3ITGAV | |
| SCHEMBL1761603 | 0.79 | PTGES (0.55) | ITGB1ITGA4ITGB7ITGB3ITGAV |
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-1660439-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | Transtech Pharma, Inc. (US) | 2006-05-31 | — | — | EP | claimed |
| WO-2005014533-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | claimed |