Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | FAP | Q12884 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4043661 | 0.93 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4048801 | 0.91 | CTSK (0.39) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4048824 | 0.90 | CTSK (0.37) | NPC1RAB9APREPFAP | |
| SCHEMBL4047709 | 0.89 | ALDH1A1 (0.34) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4043632 | 0.89 | CHRNA7 (0.40) | ALDH1A1NPC1NPSR1MAPTUSP2 | |
| SCHEMBL4048091 | 0.88 | HPGD (0.38) | ALDH1A1HPGDKDM4EGAAPREP | |
| SCHEMBL4051523 | 0.86 | ALDH1A1 (0.37) | ALDH1A1HPGDKDM4ENPC1RAB9A | |
| SCHEMBL4042524 | 0.85 | CHRNA7 (0.37) | ALDH1A1HPGDKDM4ENPC1HSD17B10 | |
| SCHEMBL4044689 | 0.85 | PREP (0.35) | ALDH1A1PREPFAP | |
| SCHEMBL4045026 | 0.85 | CTSK (0.36) | ALDH1A1KDM4EGAAPREPFAP |
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 |