Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25281621 | 0.87 | CYP4F2 (0.44) | CYP4F2CYP4A11NPSR1 | |
| SCHEMBL6626687 | 0.84 | CYP4F2 (0.50) | CYP4F2CYP4A11KMT2ACTSLCTSB | |
| SCHEMBL21772022 | 0.84 | CYP4F2 (0.46) | CYP4F2CYP4A11NPSR1 | |
| SCHEMBL745218 | 0.83 | OPRM1 (0.46) | OPRM1KDM4EKMT2A | |
| SCHEMBL1750858 | 0.82 | CYP4F2 (0.49) | CYP4F2CYP4A11KDM4EKMT2ACTSL | |
| SCHEMBL4294309 | 0.78 | CYP4F2 (0.43) | OPRM1CYP4F2CYP4A11KDM4EKMT2A | |
| SCHEMBL16310454 | 0.78 | OPRM1 (0.42) | OPRM1CYP4F2CYP4A11KDM4EKMT2A | |
| SCHEMBL7370030 | 0.77 | KDM4E (0.40) | OPRM1CYP4F2CYP4A11KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL23727034 | 0.77 | OPRM1 (0.41) | OPRM1CYP4F2CYP4A11KDM4EKMT2A | |
| SCHEMBL17150393 | 0.77 | CYP4F2 (0.39) | OPRM1CYP4F2CYP4A11KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8329904-B2 | Azacyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |