Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGAV | P06756 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL7981072 | 0.84 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7979461 | 0.84 | ESR1 (0.42) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7979465 | 0.84 | ESR1 (0.42) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7982739 | 0.83 | CACNA1C (0.42) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL21081300 | 0.83 | ESR1 (0.47) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7980451 | 0.82 | ESR1 (0.40) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7969463 | 0.82 | CACNA1C (0.39) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7969417 | 0.81 | CACNA1C (0.40) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7969529 | 0.81 | CACNA1C (0.40) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7983178 | 0.81 | CACNA1C (0.43) | ESR1PTGS1PDE4ACACNA1CABCC2 |
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 |