Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 15/20 | 0.37 |
| ▸ | CTSL | P07711 | 13/20 | 0.36 |
| ▸ | CTSS | P25774 | 9/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.36 |
| ▸ | CTSV | O60911 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4045167 | 0.93 | ALDH1A1 (0.38) | ALDH1A1KDM4ENPC1HPGDRAB9A | |
| SCHEMBL4045839 | 0.91 | CTSK (0.45) | CTSKCTSLCTSSCTSBCTSV | |
| SCHEMBL4051812 | 0.90 | CTSK (0.43) | CTSKCTSLCTSSCTSBCTSV | |
| SCHEMBL4049357 | 0.89 | CTSK (0.37) | ALDH1A1KDM4ENPC1HPGDRAB9A | |
| SCHEMBL4043180 | 0.88 | CHRNB2 (0.42) | ALDH1A1NPC1CTSK | |
| SCHEMBL4045921 | 0.88 | HPGD (0.38) | HPGDCTSKCTSLCTSSCTSB | |
| SCHEMBL4040201 | 0.85 | CTSK (0.45) | ALDH1A1KDM4ENPC1HPGDRAB9A | |
| SCHEMBL4044616 | 0.85 | CHRNB2 (0.39) | ALDH1A1NPC1CTSKCTSLCTSS | |
| SCHEMBL4051956 | 0.84 | CTSK (0.41) | CTSKCTSLCTSSCTSBCTSV | |
| SCHEMBL4050718 | 0.84 | CTSK (0.41) | ALDH1A1KDM4ECTSKCTSLCTSS |
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 |