Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4042896 | 0.93 | CTSK (0.45) | CTSKTAS1R3TAS1R1HPGDCTSL | |
| SCHEMBL4039519 | 0.92 | CTSK (0.37) | CTSKTAS1R3TAS1R1HPGDCTSL | |
| SCHEMBL4045830 | 0.92 | CTSK (0.39) | CTSKCTSLCTSSPREPFAP | |
| SCHEMBL4046525 | 0.89 | TAS1R3 (0.34) | CTSKTAS1R3TAS1R1HPGDCTSL | |
| SCHEMBL4043865 | 0.89 | CTSK (0.36) | CTSKTAS1R3TAS1R1HPGDCTSL | |
| SCHEMBL4042533 | 0.87 | CTSK (0.40) | CTSKCTSLCTSS | |
| SCHEMBL4051523 | 0.87 | ALDH1A1 (0.37) | CTSKHPGDCTSLCTSSPREP | |
| SCHEMBL4043597 | 0.86 | CTSK (0.41) | CTSKCTSLCTSSPREPFAP | |
| SCHEMBL4048091 | 0.86 | HPGD (0.38) | CTSKTAS1R3TAS1R1HPGDCTSL | |
| SCHEMBL4045412 | 0.84 | CTSK (0.48) | CTSKCTSLCTSS |
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 |