Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.77 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.77 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.69 |
| ▸ | FLT3 | P36888 | 2/20 | 0.66 |
| ▸ | AURKA | O14965 | 1/20 | 0.66 |
| ▸ | KDR | P35968 | 1/20 | 0.66 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.62 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | RECQL | P46063 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL21206264 | 0.95 | CYP1B1 (0.78) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL30375640 | 0.95 | CYP1B1 (0.78) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL21226275 | 0.87 | CYP1A1 (0.72) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL3131502 | 0.87 | CYP1B1 (1.00) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL34468184 | 0.87 | CYP1B1 (1.00) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL31238120 | 0.87 | CYP1B1 (1.00) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL21226278 | 0.87 | CYP1A1 (0.75) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| Sinensetin SCHEMBL7020909 | 0.85 | CYP1B1 (0.95) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL7605301 | 0.85 | CYP1B1 (0.78) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 | |
| SCHEMBL21226277 | 0.84 | CYP1A1 (0.70) | CYP1A1CYP1B1CYP1A2OPRD1HDAC6 |
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-118684644-A | Eupatilin derivative containing piperazine structure and preparation method and application thereof | 南阳医学高等专科学校 | 2024-09-24 | — | — | CN | disclosed |