Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | FAP | Q12884 | 1/20 | 0.31 |
| ▸ | ERCC5 | P28715 | 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 | |
|---|---|---|---|---|
| SCHEMBL7981089 | 1.00 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7979660 | 0.89 | CACNA1C (0.39) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7979457 | 0.87 | ESR1 (0.40) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7969441 | 0.86 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL8721805 | 0.84 | PDE10A (0.33) | KDM4EPDE10AALDH1A1MAPTRAB9A | |
| SCHEMBL7983370 | 0.83 | CACNA1C (0.39) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7983393 | 0.83 | CACNA1C (0.39) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL21081300 | 0.83 | ESR1 (0.47) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7982630 | 0.82 | PDE4A (0.41) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7982827 | 0.81 | ESR1 (0.40) | 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 3 patents. 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 |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |