Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | PTAFR | P25105 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4043880 | 0.93 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4044034 | 0.93 | CHRNB2 (0.41) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4042383 | 0.92 | CTSK (0.42) | CHRNB2CHRNA7CHRNA4CTSKCTSL | |
| SCHEMBL4044847 | 0.90 | CHRNB2 (0.39) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4046703 | 0.88 | CHRNB2 (0.42) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4051337 | 0.87 | CHRNB2 (0.43) | CHRNB2CHRNA7CHRNA4ALDH1A1CTSK | |
| SCHEMBL4047148 | 0.86 | CHRNB2 (0.39) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4045179 | 0.86 | CTSK (0.44) | CHRNA7CTSKCTSLCTSBCTSS | |
| SCHEMBL4049366 | 0.84 | CTSK (0.38) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD | |
| SCHEMBL4046786 | 0.84 | CHRNB2 (0.36) | CHRNB2CHRNA7CHRNA4ALDH1A1HPGD |
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 |