Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.40 |
| ▸ | ITGAV | P06756 | 2/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6779571 | 0.91 | FPR2 (0.43) | NPC1RAB9AGAAGPR132ITGB3 | |
| SCHEMBL6775970 | 0.91 | GPR132 (0.49) | GPR132ITGB3ITGB1ITGAVITGA5 | |
| SCHEMBL6772224 | 0.90 | CTSV (0.50) | CTSBCTSSCTSKCTSLGPR132 | |
| SCHEMBL7838300 | 0.90 | ITGB3 (0.51) | CTSBCTSSCTSKCTSLGPR132 | |
| SCHEMBL7837213 | 0.89 | CTSL (0.41) | CTSLL3MBTL1GPR132ITGB3ITGB1 | |
| SCHEMBL3051751 | 0.89 | GPR139 (0.44) | CTSBCTSSCTSKCTSLGPR132 | |
| SCHEMBL7344058 | 0.88 | GLA (0.41) | CTSBCTSSCTSKCTSLGLA | |
| SCHEMBL7345088 | 0.88 | ITGB3 (0.41) | GPR132ITGB3ITGB1ITGAVITGA5 | |
| SCHEMBL7823171 | 0.87 | ITGB3 (0.50) | GPR132ITGB3ITGB1ITGAVITGA5 | |
| SCHEMBL7345869 | 0.86 | HTT (0.43) | NPC1RAB9AGAAL3MBTL1ITGB3 |
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-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | claimed |
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |