Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 14/20 | 0.51 |
| ▸ | ITGAV | P06756 | 14/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.51 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.51 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.42 |
| ▸ | TRPC4 | Q9UBN4 | 1/20 | 0.42 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 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 | |
|---|---|---|---|---|
| SCHEMBL5845864 | 1.00 | ITGB3 (0.51) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| Trifluoroacetic Acid SCHEMBL5845761 | 0.95 | ITGAV (0.47) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL5843698 | 0.95 | ITGB3 (0.49) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| Trifluoroacetic Acid SCHEMBL5844911 | 0.90 | ITGAV (0.45) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL5845774 | 0.88 | KCNH2 (0.43) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL6763140 | 0.85 | ITGAV (0.56) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL5844227 | 0.85 | ITGB3 (0.47) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL6762908 | 0.84 | ITGAV (0.54) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL5844920 | 0.83 | BCHE (0.44) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| Trifluoroacetic Acid SCHEMBL6767494 | 0.81 | ITGAV (0.52) | ITGB3ITGAVITGA2BITGB5ITGB6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343764-A1 | UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2003-09-17 | — | — | EP | claimed |
| WO-2002050039-A1 | UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2002-06-27 | — | — | WO | claimed |
| EP-1343764-A1 | UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002050039-A1 | UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2002-06-27 | — | — | WO | disclosed |