Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 5/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6894584 | 0.80 | — | — | |
| SCHEMBL8700639 | 0.79 | PAOX (0.53) | PAOXCA3CA5ACA5BLMNA | |
| SCHEMBL23956968 | 0.78 | PAOX (0.59) | PAOXCA3CA5ACA5BLMNA | |
| SCHEMBL3483791 | 0.78 | CA3 (0.50) | PAOXCA3CA5ACA5BALDH1A1 | |
| SCHEMBL18544069 | 0.78 | PAOX (0.59) | PAOXCA3CA5ACA5BALDH1A1 | |
| SCHEMBL10401885 | 0.78 | ALDH1A1 (0.56) | PAOXLMNASLC15A2ALDH1A1KDM4E | |
| SCHEMBL2240590 | 0.78 | CA3 (0.42) | PAOXCA3CA5ACA5BLMNA | |
| SCHEMBL3636004 | 0.77 | CA3 (0.47) | PAOXCA3CA5ACA5BALDH1A1 | |
| SCHEMBL854713 | 0.76 | ADRA1A (0.45) | PAOXLMNASLC15A2ALDH1A1KDM4E | |
| SCHEMBL18338812 | 0.75 | CA3 (0.54) | PAOXCA3CA5ACA5BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5846942-A | Cholecystokinin antagonists, their preparation and therapeutic use | WARNER-LAMBERT COMPANY (US) | 1998-12-08 | — | — | US | disclosed |
| US-5593967-A | Cholecystokinin antagonists, their preparation and therapeutic use | WARNER-LAMBERT COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| WO-1992004045-A1 | NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE | WARNER-LAMBERT COMPANY (US) | 1992-03-19 | — | — | WO | disclosed |