Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | AOC1 | P19801 | 4/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.32 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL28538489 | 0.85 | GAA (0.45) | SCDMAPK1NPSR1BCHEACHE | |
| SCHEMBL28538545 | 0.83 | SCD (0.39) | SCDMAPK1NPSR1BCHEACHE | |
| SCHEMBL28909927 | 0.80 | SCD (0.42) | SCDMAPK1NPSR1CYP2D6KCNH2 | |
| SCHEMBL28522011 | 0.79 | MAPK1 (0.52) | SCDMAPK1NPSR1CYP2D6 | |
| SCHEMBL28521995 | 0.79 | ALDH1A1 (0.39) | SCDMAPK1NPSR1KDM4EGAA | |
| SCHEMBL28534358 | 0.76 | NOS2 (0.46) | SCDMAPK1TRPV1TRPM8 | |
| SCHEMBL22587919 | 0.75 | IDO1 (0.32) | SCDMAPK1NPSR1KDM4ECYP2D6 | |
| SCHEMBL28527744 | 0.73 | IDH2 (0.40) | KDM4EGAACYP2D6KCNH2 | |
| SCHEMBL28909945 | 0.72 | MAPK1 (0.60) | MAPK1NPSR1CYP2D6 | |
| SCHEMBL22587771 | 0.72 | MLNR (0.52) | SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 健艾仕生物医药有限公司 | 2020-10-30 | — | — | CN | disclosed |