Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | CLTC | Q00610 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427122 | 0.91 | NR1H2 (0.47) | NR1H2NR1H3CHRM5CHRM3ALDH1A1 | |
| SCHEMBL6426786 | 0.88 | MAPT (0.46) | NR1H2NR1H3CHRM5ALDH1A1HTT | |
| SCHEMBL6427820 | 0.85 | KMT2A (0.47) | NR1H2NR1H3ALDH1A1HTTMAPT | |
| SCHEMBL6428548 | 0.84 | NR1H2 (0.56) | NR1H2NR1H3ALDH1A1CES2BCHE | |
| SCHEMBL6430888 | 0.82 | PKM (0.52) | CHRM5ALDH1A1HTTMAPT | |
| SCHEMBL6463014 | 0.79 | CMA1 (0.51) | NR1H2NR1H3CHRM5ALDH1A1HTT | |
| SCHEMBL6428843 | 0.72 | NR1H2 (0.52) | NR1H2NR1H3ALDH1A1CES2BCHE | |
| SCHEMBL6426845 | 0.72 | MAPT (0.50) | NR1H2NR1H3ALDH1A1HTTCES2 | |
| SCHEMBL12784743 | 0.71 | CNR1 (0.42) | PTGDR2TNFALDH1A1HTTCNR1 | |
| SCHEMBL14464973 | 0.71 | CNR1 (0.42) | PTGDR2TNFALDH1A1HTTCNR1 |
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 |