Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.39 |
| ▸ | PTPRA | P18433 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7986868 | 1.00 | ESR1 (0.45) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7982997 | 1.00 | ESR1 (0.45) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7982708 | 0.90 | ESR1 (0.43) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7979469 | 0.88 | ESR1 (0.44) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7969446 | 0.88 | ESR1 (0.44) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL10440442 | 0.86 | ESR1 (0.44) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL22166268 | 0.83 | ESR1 (0.46) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL9696455 | 0.82 | ESR1 (0.44) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7986495 | 0.81 | CACNA1C (0.45) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL11204180 | 0.78 | ESR1 (0.47) | 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 |