Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.34 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL7983024 | 0.87 | CACNA1C (0.38) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL7986586 | 0.82 | CACNA1C (0.42) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL7982708 | 0.82 | ESR1 (0.43) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL7983032 | 0.80 | CACNA1C (0.37) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL9026421 | 0.79 | CACNA1C (0.42) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL9026409 | 0.79 | CACNA1C (0.42) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL11956841 | 0.76 | CACNA1C (0.35) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL11948525 | 0.76 | CACNA1C (0.35) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL21081315 | 0.74 | CACNA1C (0.53) | CACNA1CESR1PTGS1PDE4AABCC2 | |
| SCHEMBL7982997 | 0.73 | ESR1 (0.45) | CACNA1CESR1PTGS1PDE4AABCC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |