Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL307822 | 0.94 | ALDH1A1 (0.40) | ALDH1A1HSD17B10HPGDBCL2L1DHODH | |
| SCHEMBL16555218 | 0.81 | PTGDR2 (0.40) | ALDH1A1HPGDDHODHPDK2BACE1 | |
| SCHEMBL16555285 | 0.81 | PTGDR2 (0.40) | ALDH1A1HPGDDHODHPDK2BACE1 | |
| SCHEMBL16566942 | 0.81 | PTGDR2 (0.40) | HPGDPDK2MAPK1KMT2A | |
| SCHEMBL612842 | 0.80 | ALDH1A1 (0.40) | ALDH1A1HSD17B10DHODHKIF11PDK2 | |
| SCHEMBL5865875 | 0.77 | POLB (0.42) | ALDH1A1MAPK1 | |
| SCHEMBL307807 | 0.76 | PDK2 (0.46) | ALDH1A1PDK2PTPN5CNR2 | |
| SCHEMBL612738 | 0.75 | PDK2 (0.46) | PDK2CYP2A6HDAC4 | |
| SCHEMBL16555247 | 0.75 | PTGS2 (0.47) | — | |
| SCHEMBL16568314 | 0.75 | PTGS2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2001169798-A | METHOD FOR PRODUCING BOTH ENANTIOMERS OF OPTICALLY ACTIVE AZULENE TRIFLUOROETHANOL DERIVATIVE BY USE OF LIPASE | KONAN KAKO KK | 2001-06-26 | — | — | JP | disclosed |