Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 5/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7480191 | 0.82 | KLK5 (0.43) | KLK5CTSLITGB1ITGA5ITGB3 | |
| SCHEMBL7480195 | 0.82 | KLK5 (0.43) | KLK5CTSLITGB1ITGA5ITGB3 | |
| SCHEMBL763725 | 0.81 | KLK5 (0.50) | KLK5CTSLITGB3CTSSCTSK | |
| Hydrochloric Acid SCHEMBL6740643 | 0.79 | ITGB1 (0.40) | ITGB1ITGA5ITGB3ITGAVITGA4 | |
| SCHEMBL28362228 | 0.77 | ITGB3 (0.44) | KLK5CTSLITGB3CTSSCTSK | |
| SCHEMBL21896426 | 0.77 | ITGB3 (0.44) | KLK5CTSLITGB3CTSSCTSK | |
| SCHEMBL6561292 | 0.77 | ITGB1 (0.56) | ITGB1ITGB3ITGAVITGA4ITGB7 | |
| SCHEMBL14799578 | 0.77 | ITGB1 (0.56) | ITGB1ITGB3ITGAVITGA4ITGB7 | |
| SCHEMBL12241473 | 0.77 | KLK5 (0.50) | KLK5CTSLITGB3CTSSCTSK | |
| SCHEMBL33526968 | 0.77 | KLK5 (0.50) | KLK5CTSLITGB3CTSSCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6685617-B1 | 4-(((-1-CARBOXY-2-(4-((2,6-DICHLOROBENZOYL)AMINE)PHENYL)ETHYL) AMINO)CARBONYL)-3-OXO-3-THIAZOLIDINEBUTANOIC ACID, USED AS ANTAGONISTS FOR CELLULAR ADHESION MOLECULES, AND ADMINISTERED AS ANTIINFLAMMATORY AGENTS | PHARMACIA & UPJOHN COMPANY | 2004-02-03 | — | — | US | disclosed |