Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 15/20 | 0.41 |
| ▸ | CA2 | P00918 | 15/20 | 0.41 |
| ▸ | CA9 | Q16790 | 7/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 4/20 | 0.36 |
| ▸ | CA7 | P43166 | 4/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA3 | P07451 | 3/20 | 0.36 |
| ▸ | CA4 | P22748 | 3/20 | 0.36 |
| ▸ | CA6 | P23280 | 3/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CA11 | O75493 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27174917 | 0.83 | PHGDH (0.38) | CA1CA2CA9CCNA2CDK2 | |
| SCHEMBL27851069 | 0.74 | HSD17B10 (0.47) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL21695368 | 0.72 | GRM5 (0.45) | MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL20557467 | 0.71 | CDK5 (0.34) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL20558119 | 0.70 | CDK5 (0.45) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL9095722 | 0.70 | NOS1 (0.46) | CA1CA2CA9CA5ACA7 | |
| SCHEMBL319961 | 0.70 | SMN1; SMN2 (0.38) | CA1CA2CCNA2CDK2CCNA1 | |
| SCHEMBL17646629 | 0.69 | L3MBTL1 (0.40) | CA1CA2CA9MEN1KMT2A | |
| SCHEMBL20557462 | 0.68 | CDK5 (0.43) | CCNA2CDK2CCNA1CDK5CDK5R1 | |
| SCHEMBL19475418 | 0.68 | CA2 (0.47) | CA1CA2CA9CDK5CDK5R1 |
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-3203840-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057572-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | MILLER MARK THOMAS (US) | 2016-04-14 | — | — | WO | disclosed |