Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 11/20 | 0.47 |
| ▸ | ITGAV | P06756 | 10/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.42 |
| ▸ | HPGDS | O60760 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | TMPRSS15 | P98073 | 2/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6934969 | 0.85 | ITGB3 (0.51) | ITGB3ITGAVITGA2BHPGDSSMN1; SMN2 | |
| SCHEMBL7879691 | 0.79 | ITGB3 (0.56) | ITGB3ITGAVITGA2BPRSS1TMPRSS15 | |
| SCHEMBL6941874 | 0.77 | PYGL (0.42) | F10 | |
| SCHEMBL7882801 | 0.76 | ALDH1A1 (0.41) | ITGB3ITGAVHPGDSSMN1; SMN2 | |
| SCHEMBL6935372 | 0.73 | NPC1 (0.38) | ITGB3ITGAVITGA2BF10 | |
| SCHEMBL7408880 | 0.73 | PSMB5 (0.40) | ITGB3ITGAVITGA2B | |
| SCHEMBL6938307 | 0.73 | PSMB5 (0.40) | ITGB3ITGAVITGA2B | |
| SCHEMBL6941095 | 0.72 | AKR1C3 (0.57) | ITGB3ITGAVHTTSMN1; SMN2 | |
| SCHEMBL7099306 | 0.70 | ITGB3 (0.51) | ITGB3ITGAVITGA2B | |
| SCHEMBL6938684 | 0.69 | ITGB3 (0.43) | ITGB3ITGAVITGA2BSMN1; SMN2 |
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-1097127-B1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6326403-B1 | CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-12-04 | — | — | US | disclosed |
| EP-1097127-A1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000003973-A1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2000-01-27 | — | — | WO | disclosed |