Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7982633 | 1.00 | PTGS1 (0.40) | PTGS1ESR1PDE4ACACNA1CPTGS2 | |
| SCHEMBL7983336 | 0.87 | CACNA1C (0.38) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7969417 | 0.87 | CACNA1C (0.40) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7969529 | 0.87 | CACNA1C (0.40) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7987229 | 0.87 | CACNA1C (0.38) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7980451 | 0.86 | ESR1 (0.40) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7969463 | 0.86 | CACNA1C (0.39) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7987037 | 0.85 | CACNA1C (0.38) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7986793 | 0.85 | CACNA1C (0.38) | PTGS1ESR1PDE4ACACNA1CKDM4E | |
| SCHEMBL7981072 | 0.85 | ESR1 (0.41) | PTGS1ESR1PDE4ACACNA1CKDM4E |
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 |