Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | GRK2 | P25098 | 11/20 | 0.40 |
| ▸ | PRKCA | P17252 | 6/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | GRK3 | P35626 | 2/20 | 0.39 |
| ▸ | GRK7 | Q8WTQ7 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GRK5 | P34947 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.38 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.38 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.38 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.38 |
| ▸ | ITGA8 | P53708 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8524575 | 0.91 | LMNA (0.42) | ROCK2GRK2ITGB3ITGB1ITGAV | |
| SCHEMBL8524582 | 0.86 | ROCK2 (0.40) | ROCK2ROCK1ITGB3ITGB1ITGAV | |
| SCHEMBL7863185 | 0.77 | AKR1C3 (0.56) | ITGB3ITGAV | |
| SCHEMBL7856464 | 0.76 | TP53 (0.49) | ROCK2SIRT2HSD17B10ITGB3TP53 | |
| SCHEMBL7856468 | 0.75 | TP53 (0.46) | SIRT2HSD17B10TP53TSHRPPARG | |
| SCHEMBL7856412 | 0.73 | TP53 (0.47) | ROCK2SIRT2HSD17B10ITGB3ITGB1 | |
| SCHEMBL7863112 | 0.73 | ROCK1 (0.47) | ROCK2ROCK1GRK2PRKCAITGB3 | |
| SCHEMBL7864206 | 0.71 | TP53 (0.45) | ROCK2SIRT2HSD17B10TP53TSHR | |
| SCHEMBL6809549 | 0.71 | ITGB3 (0.51) | ITGB3ITGB1ITGAVITGA5ITGB5 | |
| SCHEMBL8501121 | 0.70 | TP53 (0.41) | ROCK2GRK2PRKCASIRT2HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | claimed |
| EP-0889877-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1999-01-13 | — | — | EP | claimed |
| WO-1997036862-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | claimed |
| EP-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | disclosed |
| EP-0889877-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997036862-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | disclosed |