Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | SCD | O00767 | 6/20 | 0.57 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL3653730 | 0.90 | ROCK2 (0.60) | ROCK2ROCK1ALDH1A1SCDLMNA | |
| SCHEMBL5879508 | 0.87 | ROCK2 (0.62) | ROCK2ROCK1 | |
| SCHEMBL91397 | 0.87 | ROCK2 (0.62) | ROCK2ROCK1LMNATP53 | |
| SCHEMBL3653731 | 0.86 | ROCK2 (0.61) | ROCK2ROCK1 | |
| SCHEMBL7144846 | 0.85 | ROCK2 (0.58) | ROCK2ROCK1SCDPDE5A | |
| SCHEMBL3653728 | 0.84 | ROCK2 (0.59) | ROCK2ROCK1 | |
| SCHEMBL7016372 | 0.83 | SCD (0.61) | ALDH1A1SCDLMNAMME | |
| SCHEMBL4781259 | 0.83 | SCD (0.53) | ROCK2ROCK1ALDH1A1SCDITGB1 | |
| SCHEMBL27743104 | 0.82 | ALDH1A1 (0.58) | ALDH1A1SCDITGB1ITGA4MME | |
| SCHEMBL27556141 | 0.82 | ROCK2 (0.52) | ROCK2ROCK1LMNATP53PDE5A |
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-1173468-A1 | INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000066618-A1 | INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-09 | — | — | WO | disclosed |