Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PREP | P48147 | 2/20 | 0.34 |
| ▸ | FAP | Q12884 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4047523 | 0.93 | CTSK (0.39) | ALDH1A1CTSK | |
| SCHEMBL4049558 | 0.92 | CTSK (0.36) | CTSK | |
| SCHEMBL4043292 | 0.90 | ALDH1A1 (0.37) | ALDH1A1PREPFAPRAB9ACTSK | |
| SCHEMBL4046799 | 0.88 | ALDH1A1 (0.39) | ALDH1A1PREPFAPCTSK | |
| SCHEMBL4041133 | 0.87 | CTSK (0.36) | ALDH1A1PREPFAPCTSKP2RY12 | |
| SCHEMBL4046989 | 0.86 | ALDH1A1 (0.38) | ALDH1A1PREPFAPRAB9ANR2F2 | |
| SCHEMBL4039771 | 0.85 | ALDH1A1 (0.38) | ALDH1A1PREPFAPRAB9ACTSK | |
| SCHEMBL4043678 | 0.85 | ALDH1A1 (0.38) | ALDH1A1PREPFAPRAB9ACTSK | |
| SCHEMBL4050306 | 0.85 | PKM (0.36) | ALDH1A1CTSKKDM4ELMNACHRM5 | |
| SCHEMBL4045359 | 0.85 | PREP (0.33) | PREPFAPCTSK |
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 |