Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 4/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10721464 | 0.89 | CYP19A1 (0.50) | CYP19A1HTTGSTP1KDM1AGPR174 | |
| SCHEMBL6301799 | 0.83 | CYP19A1 (0.53) | CYP19A1HTTMAOBMAOAKDM4E | |
| SCHEMBL28645480 | 0.82 | MAOB (0.57) | MAOBMAOAGSTP1HRH3KDM1A | |
| SCHEMBL28644735 | 0.77 | MAPK1 (0.44) | HTTMAOBMAOAHRH3NPC1 | |
| SCHEMBL6301379 | 0.75 | ALDH1A1 (0.49) | CYP19A1MAOBMAOAKDM4EALDH1A1 | |
| SCHEMBL8919310 | 0.75 | CYP19A1 (0.46) | CYP19A1MAOBMAOAKDM4EKDM1A | |
| SCHEMBL8920465 | 0.75 | CYP19A1 (0.50) | CYP19A1MAOBKDM4EALDH1A1 | |
| SCHEMBL2820430 | 0.74 | DDB1 (0.51) | CYP19A1MAOBMAOAKDM4ENPC1 | |
| SCHEMBL19380843 | 0.74 | DDB1 (0.47) | CYP19A1KDM4EALDH1A1 | |
| SCHEMBL2484478 | 0.74 | DDB1 (0.47) | CYP19A1KDM4EALDH1A1 |
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-113603578-A | Lignan compound and synthesis method thereof | 山东大学 | 2021-11-05 | — | — | CN | disclosed |