Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28115649 | 0.74 | KCNH2 (0.41) | LMNAKMT2AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL28116042 | 0.73 | KMT2A (0.43) | TSHRLMNAHTTMAPK1KMT2A | |
| SCHEMBL16549380 | 0.71 | KDM4E (0.39) | LMNAMAPK1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL16549374 | 0.70 | PDE1A (0.46) | LMNAHTTKMT2AALDH1A1KDM4E | |
| SCHEMBL28115606 | 0.69 | KAT7 (0.43) | LMNAHTTKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL16549386 | 0.68 | MEN1 (0.37) | KMT2APDE10AGAAMEN1POLB | |
| SCHEMBL16549384 | 0.67 | NQO2 (0.42) | TSHRLMNAMAPK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL16549379 | 0.67 | CYP19A1 (0.55) | CYP19A1KMT2AALDH1A1GAAMEN1 | |
| SCHEMBL5308382 | 0.66 | PDE4A (0.68) | LMNAMAPK1ALDH1A1KDM4EPDE4A | |
| SCHEMBL16549378 | 0.66 | PDE4A (0.47) | LMNAMAPK1KMT2AALDH1A1SMN1; SMN2 |
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-104412985-B | Apply containing luxuriant and rich with fragrance heterocycle compound and preparation method thereof and Antiphytoviral | 南开大学 | 2016-12-28 | — | — | CN | disclosed |