Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | PREP | P48147 | 1/20 | 0.32 |
| ▸ | FAP | Q12884 | 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 | |
|---|---|---|---|---|
| SCHEMBL4044807 | 0.92 | CTSK (0.39) | SMYD3ALDH1A1FKBP1ACTSLCTSS | |
| SCHEMBL4046913 | 0.90 | HSD17B10 (0.38) | SMYD3ALDH1A1TSHRCTSLCTSS | |
| SCHEMBL4047173 | 0.88 | SMYD3 (0.35) | SMYD3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL4051394 | 0.88 | CTSK (0.34) | CTSKPREPFAP | |
| SCHEMBL4046863 | 0.88 | SMYD3 (0.35) | SMYD3CTSLCTSSCTSK | |
| SCHEMBL4044689 | 0.87 | PREP (0.35) | ALDH1A1CTSLCTSSCTSKPREP | |
| SCHEMBL4043998 | 0.87 | FKBP1A (0.37) | SMYD3FKBP1ACTSSCTSK | |
| SCHEMBL4050153 | 0.87 | SMYD3 (0.35) | SMYD3CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL4041663 | 0.87 | CTSK (0.35) | TSHRCTSLCTSSCTSKPREP | |
| SCHEMBL4042582 | 0.86 | CTSK (0.44) | FKBP1ACTSLCTSSCTSK |
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 |