Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.46 |
| ▸ | ITGAV | P06756 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | IARS1 | P41252 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.42 |
| ▸ | MARS1 | P56192 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL4641275 | 0.92 | ITGB3 (0.43) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL4640796 | 0.90 | ITGB3 (0.47) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL4640793 | 0.90 | ITGB3 (0.47) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL6804204 | 0.88 | ITGB3 (0.47) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL6804197 | 0.88 | ITGB3 (0.47) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL4640030 | 0.83 | TDP1 (0.45) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL6807059 | 0.83 | TDP1 (0.45) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL6806677 | 0.83 | CDK1 (0.48) | ITGB3ITGAVHDAC1HDAC2RAB9A | |
| SCHEMBL4640954 | 0.81 | ITGB3 (0.46) | ITGB3ITGAVADORA1 | |
| SCHEMBL4640963 | 0.81 | ITGB3 (0.46) | ITGB3ITGAVADORA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0853084-B1 | Substituted purine derivatives as vitronectin receptor antagonists | HOECHST AG (DE) | 2008-08-13 | — | — | EP | disclosed |
| US-6723727-B1 | VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS | HOECHST AKTIENGESELLSCHAFT (DE) | 2004-04-20 | — | — | US | disclosed |
| EP-0853084-A2 | Substituted purine derivatives as vitronectin receptor antagonists | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-07-15 | — | — | EP | disclosed |