Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 15/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 12/20 | 0.34 |
| ▸ | CTSS | P25774 | 8/20 | 0.34 |
| ▸ | CTSB | P07858 | 4/20 | 0.34 |
| ▸ | CTSV | O60911 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4043292 | 0.93 | ALDH1A1 (0.37) | CTSKALDH1A1RAB9A | |
| SCHEMBL4039525 | 0.91 | CTSK (0.42) | CTSKALDH1A1CTSLCTSSCTSB | |
| SCHEMBL4045961 | 0.91 | CTSK (0.39) | CTSKALDH1A1TAS1R3TAS1R1CTSL | |
| SCHEMBL4047523 | 0.90 | CTSK (0.39) | CTSKALDH1A1TAS1R3TAS1R1CTSL | |
| SCHEMBL4050010 | 0.88 | CTSK (0.44) | CTSKALDH1A1CTSLCTSSCTSB | |
| SCHEMBL4043226 | 0.85 | CTSK (0.40) | CTSKALDH1A1TAS1R3TAS1R1CTSL | |
| SCHEMBL4041598 | 0.85 | CTSK (0.40) | CTSKALDH1A1TAS1R3TAS1R1CTSL | |
| SCHEMBL4047459 | 0.85 | CTSK (0.38) | CTSKALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL4051477 | 0.84 | CTSK (0.40) | CTSKCTSLCTSSCTSB | |
| SCHEMBL4041373 | 0.84 | CTSK (0.38) | CTSKALDH1A1TAS1R3TAS1R1CTSL |
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 |