Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.40 |
| ▸ | LTA4H | P09960 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL20141383 | 0.89 | TRPA1 (0.52) | TRPA1CA1CA2NAMPTEGLN2 | |
| SCHEMBL9108821 | 0.81 | EPHX2 (0.57) | CA1CA2NAMPTGLAKMT2A | |
| SCHEMBL30751832 | 0.80 | CTSS (0.47) | TRPA1EGLN2CTSSCTSK | |
| SCHEMBL21266053 | 0.80 | CTSS (0.47) | TRPA1EGLN2CTSSCTSK | |
| SCHEMBL29347119 | 0.80 | CA12 (0.55) | TRPA1CA1CA2EGLN2 | |
| SCHEMBL6928939 | 0.79 | TRPA1 (0.54) | TRPA1NAMPTEGLN2CTSSCTSK | |
| SCHEMBL13171671 | 0.78 | NSD2 (0.46) | TRPA1CA1CA2NAMPTCACNA1H | |
| SCHEMBL4449400 | 0.78 | KDM4E (0.53) | CA1CA2NAMPTGLAKMT2A | |
| SCHEMBL13886599 | 0.78 | EPHX2 (0.59) | CA1CA2NAMPTLTA4HEPHX2 | |
| SCHEMBL31432911 | 0.78 | CA1 (0.48) | CA1CA2KMT2ACACNA1H |
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 |
|---|---|---|---|---|---|---|---|
| CN-1305852-C | Diaryl ethers as opioid receptor antagonists | LILLY CO ELI (US) | 2007-03-21 | — | — | CN | disclosed |