Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LAP3 | P28838 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7808946 | 0.79 | CYP1A2 (0.39) | CTSSCTSLCTSBCTSKATM | |
| SCHEMBL7821232 | 0.79 | CYP1A2 (0.39) | CTSSCTSLCTSBCTSKATM | |
| SCHEMBL8932578 | 0.78 | CTSS (0.42) | CTSSCTSKACESRR | |
| SCHEMBL5792810 | 0.74 | SRR (0.39) | CTSSCTSLCTSBCTSKSRR | |
| SCHEMBL12483826 | 0.68 | ITGA4 (0.48) | CTSSCTSLCTSBCTSKATM | |
| SCHEMBL10441236 | 0.68 | ITGA4 (0.48) | CTSSCTSLCTSBCTSKATM | |
| SCHEMBL9120328 | 0.67 | TRPA1 (0.44) | ATMTRPA1CYP1A2LAP3SRR | |
| SCHEMBL9118343 | 0.67 | TAAR1 (0.42) | ATMTRPA1CYP1A2 | |
| SCHEMBL28997356 | 0.67 | CYP1A2 (0.41) | CYP1A2LAP3 | |
| SCHEMBL21056125 | 0.64 | SLC6A2 (0.48) | CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006016116-A1 | PROCESS FOR ASYMMETRIC CATALYTIC HYDROGENATION | PHOENIX CHEMICALS LIMITED (GB) | 2006-02-16 | — | — | WO | disclosed |