Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 5/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9543250 | 0.86 | ACE (0.51) | CXCR3CTSKCTSSXIAPACE | |
| SCHEMBL9544867 | 0.85 | CTSK (0.48) | CTSKCTSSACE | |
| SCHEMBL9545294 | 0.82 | CCKBR (0.44) | — | |
| SCHEMBL9542638 | 0.79 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9542646 | 0.79 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9544975 | 0.79 | CTSK (0.51) | CTSKCTSSACE | |
| SCHEMBL9544256 | 0.79 | CTSK (0.51) | CTSKCTSSACE | |
| SCHEMBL5564454 | 0.77 | KDM4E (0.52) | CXCR3KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9543558 | 0.76 | ACE (0.52) | CTSKACE | |
| SCHEMBL9543550 | 0.76 | ACE (0.52) | CTSKACE |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993020099-A2 | CCK AND/OR GASTRIN RECEPTOR LIGANDS | FERRING B.V. (NL) | 1993-10-14 | — | — | WO | disclosed |