Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 1/20 | 0.53 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.53 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | 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 | |
|---|---|---|---|---|
| Benzoquinone SCHEMBL26923622 | 0.90 | TDP1 (0.57) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL28873562 | 0.84 | TDP1 (0.50) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL8966070 | 0.82 | TDP1 (0.80) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL28211057 | 0.82 | TDP1 (0.80) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL5963896 | 0.79 | TDP1 (0.61) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL29032303 | 0.78 | TDP1 (0.73) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL27473702 | 0.76 | TDP1 (0.57) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL31055608 | 0.74 | ALDH1A1 (0.67) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL27519977 | 0.74 | ALDH1A1 (0.67) | ALDH1A1TDP1HSD17B10BCHEPOLB | |
| Benzoquinone SCHEMBL5335267 | 0.73 | MAOA (0.80) | ALDH1A1TDP1HSD17B10BCHEPOLB |
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-109906034-A | FUNGICIDAL COMBINATIONS | UPL有限公司 | 2019-06-18 | — | — | CN | disclosed |