Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.48 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6160991 | 0.88 | CHEK2 (0.41) | PIN1CHEK2 | |
| SCHEMBL6158375 | 0.87 | PIN1 (0.49) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL6163660 | 0.83 | — | — | |
| SCHEMBL6160963 | 0.81 | — | — | |
| SCHEMBL7988608 | 0.77 | PIN1 (0.55) | PIN1CYP1A2MAPK1CASP1CYP2C19 | |
| SCHEMBL6159443 | 0.74 | — | — | |
| SCHEMBL6159432 | 0.74 | PIN1 (0.59) | PIN1 | |
| SCHEMBL6161528 | 0.74 | KDM4E (0.46) | — | |
| SCHEMBL6159561 | 0.73 | SLC9A1 (0.43) | — | |
| SCHEMBL6158682 | 0.73 | — | — |
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-1178969-B1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | BLACK JAMES FOUNDATION (GB) | 2005-07-13 | — | — | EP | disclosed |
| US-6479531-B1 | Gastrin and cholecystokinin receptor ligands | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |