Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7607737 | 0.84 | ALDH1A1 (0.40) | CA1CA2LMNACYP3A4MAPT | |
| SCHEMBL10289749 | 0.78 | CFTR (0.37) | CFTRCYP3A4FFAR4 | |
| SCHEMBL12000933 | 0.77 | CYP3A4 (0.36) | LMNACYP3A4MAPT | |
| SCHEMBL10290571 | 0.76 | LMNA (0.33) | LMNACYP3A4MAPT | |
| SCHEMBL5515400 | 0.74 | CA12 (0.39) | CFTRCA12CA1CA2CA4 | |
| SCHEMBL7614262 | 0.73 | ALDH1A1 (0.50) | CA1CA2LMNACYP3A4MAPT | |
| SCHEMBL12697290 | 0.72 | AR (0.40) | CA12CA9LMNACYP3A4 | |
| SCHEMBL396943 | 0.72 | ALDH1A1 (0.54) | CFTRCA12CA1CA2CA4 | |
| SCHEMBL10289754 | 0.72 | MAPT (0.33) | CA12CA1CA2CA4CA6 | |
| SCHEMBL24696869 | 0.71 | PDE3B (0.34) | CFTRPDE3BPDE3A |
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-2532650-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2007075946-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |