Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 10/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 10/20 | 0.50 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7389323 | 0.92 | CYP2C19 (0.44) | ITGB1ITGA4CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL5164311 | 0.87 | CYP2C19 (0.44) | ITGB1ITGA4CAPN1CYP2C9CYP2C19 | |
| SCHEMBL7391850 | 0.82 | P2RX7 (0.41) | ITGB1ITGA4CYP2C9CYP2C19KMT2A | |
| SCHEMBL5165158 | 0.76 | ITGB1 (0.74) | ITGB1ITGA4CAPN1 | |
| SCHEMBL5164182 | 0.76 | ITGB1 (0.74) | ITGB1ITGA4CAPN1 | |
| SCHEMBL5165623 | 0.75 | ITGB1 (0.57) | ITGB1ITGA4CAPN1CYP2C9CYP2C19 | |
| SCHEMBL5161249 | 0.73 | ITGB1 (0.80) | ITGB1ITGA4CAPN1 | |
| SCHEMBL5683192 | 0.73 | ITGA4 (0.68) | ITGB1ITGA4CAPN1CYP2C9CYP2C19 | |
| SCHEMBL5693838 | 0.73 | ITGB1 (0.70) | ITGB1ITGA4CAPN1KMT2A | |
| SCHEMBL6708108 | 0.72 | ALDH1A1 (0.47) | GAAALDH1A1TSHRKDM4EMAPT |
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-1763361-A2 | STEROID SPARING AGENTS AND THEIR USE | Elan Pharmaceuticals, Inc. (US) | 2007-03-21 | — | — | EP | disclosed |
| WO-2005097162-A2 | STEROID SPARING AGENTS AND THEIR USE | ELAN PHARMACEUTICALS, INC. (US) | 2005-10-20 | — | — | WO | disclosed |