Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KLK7 | P49862 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.33 |
| ▸ | PTAFR | P25105 | 3/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL4049366 | 0.93 | CTSK (0.38) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4043842 | 0.93 | CHRNB2 (0.36) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4046940 | 0.92 | KDM4E (0.35) | ALDH1A1HPGDMAPTMMP1MMP3 | |
| SCHEMBL4043869 | 0.91 | KCNQ1 (0.37) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4045350 | 0.90 | CHRNB2 (0.34) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4049254 | 0.89 | CHRNB2 (0.40) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4046525 | 0.89 | TAS1R3 (0.34) | ALDH1A1HPGDTAS1R3TAS1R1KDM4E | |
| SCHEMBL4039150 | 0.88 | CHRNA7 (0.36) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4051965 | 0.87 | MC4R (0.38) | ALDH1A1MAPTKLK7RXFP1MMP1 | |
| SCHEMBL4042533 | 0.85 | CTSK (0.40) | CTSK |
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 |