Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL7983141 | 0.86 | CACNA1C (0.42) | PDE4AESR1PTGS1CACNA1CABCC2 | |
| SCHEMBL21081300 | 0.83 | ESR1 (0.47) | PDE4AESR1PTGS1CACNA1CABCC2 | |
| SCHEMBL7981089 | 0.82 | ESR1 (0.41) | PDE4AESR1PTGS1CACNA1CRAB9A | |
| SCHEMBL7983664 | 0.82 | ESR1 (0.41) | PDE4AESR1PTGS1CACNA1CRAB9A | |
| SCHEMBL7969441 | 0.81 | ESR1 (0.41) | PDE4AESR1PTGS1CACNA1CSMN1; SMN2 | |
| SCHEMBL7983116 | 0.80 | ESR1 (0.42) | PDE4AESR1PTGS1CACNA1CABCC2 | |
| SCHEMBL7980774 | 0.79 | ESR1 (0.41) | PDE4AESR1PTGS1CACNA1CRAB9A | |
| SCHEMBL7979457 | 0.78 | ESR1 (0.40) | PDE4AESR1PTGS1CACNA1CSMN1; SMN2 | |
| SCHEMBL7979660 | 0.78 | CACNA1C (0.39) | PDE4AESR1PTGS1CACNA1CABCC2 | |
| SCHEMBL7979890 | 0.78 | ESR1 (0.40) | PDE4AESR1PTGS1CACNA1CABCC2 |
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 |