Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 6/20 | 0.52 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | FPR1 | P21462 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28389052 | 0.81 | ADAM17 (0.43) | NQO1TNKS2KDM4EMEN1ALDH1A1 | |
| SCHEMBL29558382 | 0.74 | ADAM17 (0.45) | NQO1KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL28472846 | 0.74 | ADAM17 (0.45) | NQO1KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL29599436 | 0.70 | ADAM17 (0.46) | NQO1KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL28453762 | 0.70 | ADAM17 (0.46) | NQO1KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL28435430 | 0.69 | KDM4E (0.45) | KDM4EMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL28397345 | 0.66 | MMP2 (0.41) | NQO1KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL8945586 | 0.65 | NQO1 (0.58) | NQO1MAPTCNR2POLB | |
| SCHEMBL6952277 | 0.65 | NQO1 (0.54) | NQO1KDM4ECNR2POLB | |
| SCHEMBL1974622 | 0.65 | ABCB1 (0.60) | KDM4EMEN1ALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-111072616-B | Compound for resisting tobacco black shank and preparation method and application thereof | 云南中烟工业有限责任公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-111072616-A | Compound for resisting tobacco black shank and preparation method and application thereof | 云南中烟工业有限责任公司 | 2020-04-28 | — | — | CN | disclosed |