Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARD | Q03181 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1514243 | 0.86 | ALDH1A1 (0.63) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL3405876 | 0.83 | CYP4F2 (0.42) | ALDH1A1TSHRFFAR4CYP4F2CYP4A11 | |
| SCHEMBL31589200 | 0.83 | CYP4F2 (0.42) | ALDH1A1TSHRFFAR4CYP4F2CYP4A11 | |
| SCHEMBL1902408 | 0.80 | XDH (0.41) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL12559946 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL16958198 | 0.79 | CYP4F2 (0.41) | ALDH1A1TSHRFFAR4CYP4F2CYP4A11 | |
| SCHEMBL30381494 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL6827660 | 0.78 | CALM1 (0.54) | ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15 | |
| SCHEMBL241171 | 0.76 | PTGS2 (0.43) | ALDH1A1TSHRFFAR4CYP4F2CYP4A11 | |
| Hydrochloric Acid SCHEMBL7542459 | 0.76 | GRIN2D (0.39) | ALDH1A1TSHRFFAR4CYP4F2CYP4A11 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008135488-A1 | ASPARTYL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2008-11-13 | — | — | WO | disclosed |
| WO-2008135488-A1 | ASPARTYL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2008-11-13 | — | — | WO | disclosed |