Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | MC3R | P41968 | 1/20 | 0.33 |
| ▸ | MC1R | Q01726 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | ST14 | Q9Y5Y6 | 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 | |
|---|---|---|---|---|
| SCHEMBL4041745 | 0.92 | CNR1 (0.39) | ALDH1A1TSHRITGB1ITGAVHSD17B10 | |
| SCHEMBL4042676 | 0.91 | CTSB (0.36) | ALDH1A1CTSLCTSBCTSSPOLB | |
| SCHEMBL4047478 | 0.90 | MC4R (0.37) | CTSLCTSBCTSSITGA4ITGB7 | |
| SCHEMBL4045912 | 0.88 | ITGA4 (0.34) | ITGB1CTSLCTSBCTSSITGA4 | |
| SCHEMBL4044768 | 0.88 | CTSL (0.44) | CTSLCTSBCTSS | |
| SCHEMBL4046868 | 0.88 | ITGB1 (0.37) | ALDH1A1ITGB1ITGAVCTSBCTSS | |
| SCHEMBL4046533 | 0.86 | MAPK1 (0.36) | ALDH1A1CTSBCTSSITGA4ITGB7 | |
| SCHEMBL4045047 | 0.85 | CTSL (0.37) | CTSLCTSBCTSSITGA4ITGB7 | |
| SCHEMBL4044603 | 0.85 | MC4R (0.37) | CTSLCTSBCTSSITGA4ITGB7 | |
| SCHEMBL4045610 | 0.84 | POLB (0.33) | CTSLCTSBCTSSPOLBF12 |
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 |