Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.39 |
| ▸ | CA3 | P07451 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MARS1 | P56192 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8700303 | 1.00 | KDM1A (0.39) | KDM1ACA3CA5ACA5BPAOX | |
| SCHEMBL8705238 | 0.92 | KDM1A (0.33) | KDM1AAKT1 | |
| SCHEMBL8705237 | 0.92 | KDM1A (0.33) | KDM1AAKT1 | |
| SCHEMBL7658482 | 0.81 | MEN1 (0.34) | KDM4EAKT1LMNA | |
| SCHEMBL7658476 | 0.81 | MEN1 (0.34) | KDM4EAKT1LMNA | |
| SCHEMBL8703925 | 0.80 | CA3 (0.34) | CA3CA5ACA5BKDM4EAKT1 | |
| SCHEMBL8703927 | 0.80 | CA3 (0.34) | CA3CA5ACA5BKDM4EAKT1 | |
| SCHEMBL9702286 | 0.77 | AKT1 (0.39) | AKT1 | |
| SCHEMBL8705304 | 0.75 | TSHR (0.47) | PAOXKDM4ETSHRLMNA | |
| SCHEMBL3483791 | 0.73 | CA3 (0.50) | KDM1ACA3CA5ACA5BPAOX |
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 |