Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 5/20 | 0.61 |
| ▸ | CYP4A11 | Q02928 | 5/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5847508 | 1.00 | CYP4F2 (0.61) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL5847504 | 0.99 | CYP4F2 (0.60) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL6529351 | 0.99 | CYP4F2 (0.60) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| Hydrochloric Acid SCHEMBL5847506 | 0.99 | CYP4F2 (0.60) | CYP4F2CYP4A11NFKB1NFKB2RELA | |
| SCHEMBL6529189 | 0.87 | CYP4F2 (0.45) | CYP4F2CYP4A11LOXL2ITGB3ITGA2B | |
| SCHEMBL5847341 | 0.87 | CYP4F2 (0.45) | CYP4F2CYP4A11LOXL2ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL5847334 | 0.86 | CYP4F2 (0.44) | CYP4F2CYP4A11LOXL2ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL5847338 | 0.86 | CYP4F2 (0.44) | CYP4F2CYP4A11LOXL2ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL6529187 | 0.86 | CYP4F2 (0.44) | CYP4F2CYP4A11LOXL2ITGB3ITGA2B | |
| SCHEMBL24496641 | 0.84 | CYP4A11 (0.61) | CYP4F2CYP4A11NFKB1NFKB2RELA |
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-2005023799-A1 | FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2005-03-17 | — | — | WO | disclosed |