Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKAR | P32238 | 12/20 | 0.54 |
| ▸ | CCKBR | P32239 | 12/20 | 0.54 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5926353 | 1.00 | CCKAR (0.54) | CCKARCCKBRITGB1ITGA4PDK1 | |
| SCHEMBL5926475 | 0.91 | ACLY (0.53) | CCKARCCKBRITGB1ITGA4PDK1 | |
| SCHEMBL5927106 | 0.88 | CCKAR (0.53) | CCKARCCKBRITGB1ITGA4PDK1 | |
| SCHEMBL5926355 | 0.85 | CTSA (0.46) | CCKARCCKBR | |
| SCHEMBL8337865 | 0.84 | CCKAR (0.51) | CCKARCCKBRITGB1ITGA4 | |
| SCHEMBL5926574 | 0.84 | CCKAR (0.49) | CCKARCCKBR | |
| SCHEMBL5927118 | 0.83 | MCL1 (0.45) | CCKARCCKBRITGB1ITGA4PDK1 | |
| SCHEMBL5926535 | 0.83 | ACLY (0.50) | CCKARCCKBRMCL1 | |
| SCHEMBL5926376 | 0.83 | MMP2 (0.56) | CCKARCCKBRITGB1ITGA4MCL1 | |
| SCHEMBL5926248 | 0.83 | KCNA5 (0.52) | CCKARCCKBRITGB1ITGA4MCL1 |
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-2004014844-A2 | ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION | TRANSTECH PHARMA, INC. (US) | 2004-02-19 | — | — | WO | disclosed |