Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6428246 | 0.86 | GSK3B (0.39) | NR1H2NR1H3CASP3F2PLG | |
| SCHEMBL6426236 | 0.81 | MAPT (0.46) | NR1H2NR1H3CASP3F2PLG | |
| SCHEMBL6426783 | 0.80 | NR1H2 (0.47) | NR1H2NR1H3CASP3F2PLG | |
| SCHEMBL6427487 | 0.77 | DHPS (0.46) | NR1H2NR1H3CYP2C19ALDH1A1 | |
| SCHEMBL6428548 | 0.76 | NR1H2 (0.56) | NR1H2NR1H3CASP3F2PLG | |
| SCHEMBL6429398 | 0.75 | NPSR1 (0.41) | NR1H2NR1H3CASP3F2PLG | |
| SCHEMBL6525603 | 0.72 | NR1H2 (0.41) | NR1H2NR1H3CASP3F2PLG | |
| SCHEMBL6427166 | 0.71 | CASP1 (0.47) | NR1H2NR1H3CASP3CYP1A2CYP2C19 | |
| SCHEMBL6429024 | 0.71 | PTGS2 (0.46) | NR1H2NR1H3 | |
| SCHEMBL6427122 | 0.68 | NR1H2 (0.47) | NR1H2NR1H3MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005024755-A2 | MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES | DECIPHERA PHARMACEUTICALS, LLC. (US) | 2005-03-17 | — | — | WO | disclosed |