Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.89 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.89 |
| ▸ | RECQL | P46063 | 2/20 | 0.89 |
| ▸ | MAOA | P21397 | 2/20 | 0.89 |
| ▸ | MAOB | P27338 | 2/20 | 0.89 |
| ▸ | BCHE | P06276 | 1/20 | 0.89 |
| ▸ | POLB | P06746 | 1/20 | 0.89 |
| ▸ | ACHE | P22303 | 1/20 | 0.89 |
| ▸ | APEX1 | P27695 | 1/20 | 0.89 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.89 |
| ▸ | CASP1 | P29466 | 1/20 | 0.89 |
| ▸ | BLM | P54132 | 1/20 | 0.89 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.89 |
| ▸ | DHODH | Q02127 | 1/20 | 0.89 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.89 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.89 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 SCHEMBL10379701 | 1.00 | ALDH1A1 (0.89) | ALDH1A1TDP1RECQLMAOAMAOB | |
| Benzoquinone SCHEMBL7915446 | 1.00 | — | — | |
| Benzoquinone SCHEMBL28750797 | 1.00 | ALDH1A1 (0.89) | ALDH1A1TDP1RECQLMAOAMAOB | |
| Benzoquinone SCHEMBL28796738 | 0.95 | ALDH1A1 (0.80) | ALDH1A1TDP1RECQLMAOAMAOB | |
| Benzoquinone SCHEMBL3208089 | 0.94 | — | — | |
| Benzoquinone SCHEMBL18103 | 0.94 | — | — | |
| Benzoquinone SCHEMBL30679171 | 0.94 | — | — | |
| Benzoquinone SCHEMBL10506648 | 0.94 | ALDH1A1 (1.00) | ALDH1A1TDP1RECQLMAOAMAOB | |
| Benzoquinone SCHEMBL460082 | 0.94 | ALDH1A1 (1.00) | ALDH1A1TDP1RECQLMAOAMAOB | |
| Benzoquinone SCHEMBL937988 | 0.89 | — | — |
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-106188224-A | A kind of multiple target-point anti-cancer medicine and preparation method and application | 广东工业大学 | 2016-12-07 | — | — | CN | disclosed |