Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.73 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038696 | 1.00 | CTSK (0.73) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL4217224 | 1.00 | CTSK (0.73) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL5941454 | 1.00 | CTSK (0.73) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL5941501 | 0.97 | CTSK (0.72) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL4221621 | 0.97 | CTSK (0.72) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL4221617 | 0.97 | CTSK (0.72) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL4221614 | 0.97 | CTSK (0.72) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL4228485 | 0.97 | CTSK (0.71) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL5941637 | 0.97 | CTSK (0.71) | CTSKCTSSCCR1ALDH1A1HPGD | |
| SCHEMBL4228478 | 0.97 | CTSK (0.71) | CTSKCTSSCCR1ALDH1A1HPGD |
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 | disclosed |