Predicted protein targets (top 17)
| 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 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | 0.86 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL7983664 | 0.86 | ESR1 (0.41) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL7979457 | 0.85 | ESR1 (0.40) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL7982827 | 0.84 | ESR1 (0.40) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL7969409 | 0.84 | CACNA1C (0.39) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL21081300 | 0.83 | ESR1 (0.47) | ESR1PTGS1PDE4ACACNA1CABCC2 | |
| SCHEMBL7982633 | 0.82 | PTGS1 (0.40) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL7982891 | 0.82 | PTGS1 (0.40) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL7982630 | 0.81 | PDE4A (0.41) | ESR1PTGS1PDE4ACACNA1CALDH1A1 | |
| SCHEMBL7983116 | 0.80 | ESR1 (0.42) | 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 |