Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTAFR | P25105 | 6/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4046703 | 0.93 | CHRNB2 (0.42) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4049417 | 0.93 | CHRNB2 (0.40) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4046863 | 0.92 | SMYD3 (0.35) | CHRNB2CHRNA7CHRNA4SMYD3 | |
| SCHEMBL4043869 | 0.91 | KCNQ1 (0.37) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4046322 | 0.90 | CHRNB2 (0.38) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4047814 | 0.89 | CHRNB2 (0.36) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4048091 | 0.89 | HPGD (0.38) | ALDH1A1HPGDTAS1R3TAS1R1 | |
| SCHEMBL4044034 | 0.88 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4043632 | 0.88 | CHRNA7 (0.40) | CHRNB2CHRNA7CHRNA4ALDH1A1KMT2A | |
| SCHEMBL4047844 | 0.87 | SMYD3 (0.35) | SMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |