Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | MAOB | P27338 | 6/20 | 0.65 |
| ▸ | MAOA | P21397 | 4/20 | 0.65 |
| ▸ | QPCT | Q16769 | 1/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.64 |
| ▸ | XDH | P47989 | 5/20 | 0.63 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | TERT | O14746 | 1/20 | 0.60 |
| ▸ | EGFR | P00533 | 1/20 | 0.60 |
| ▸ | RET | P07949 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | FLT3 | P36888 | 2/20 | 0.59 |
| ▸ | IP6K2 | Q9UHH9 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL28390996 | 0.95 | CYP1A1 (0.66) | CYP1A1CYP1A2MAOBMAOAQPCT | |
| SCHEMBL28395041 | 0.89 | CYP1A1 (0.61) | CYP1A1CYP1A2MAOBMAOAQPCT | |
| SCHEMBL9928630 | 0.86 | CYP1B1 (0.71) | CYP1A1CYP1A2MAOBMAOAABCB1 | |
| SCHEMBL10018925 | 0.84 | CYP1B1 (0.59) | CYP1A1CYP1A2MAOBMAOAABCB1 | |
| SCHEMBL4152555 | 0.81 | ABCB1 (0.93) | CYP1A1CYP1A2MAOBMAOAQPCT | |
| SCHEMBL4155808 | 0.78 | ABCB1 (1.00) | CYP1A1CYP1A2MAOBMAOAQPCT | |
| SCHEMBL4152249 | 0.78 | ABCB1 (1.00) | CYP1A1CYP1A2MAOBMAOAQPCT | |
| SCHEMBL4156208 | 0.78 | ABCB1 (1.00) | CYP1A1CYP1A2MAOBMAOAQPCT | |
| SCHEMBL4156163 | 0.78 | ABCB1 (1.00) | CYP1A1CYP1A2MAOBMAOAQPCT | |
| SCHEMBL4155804 | 0.78 | ABCB1 (1.00) | CYP1A1CYP1A2MAOBMAOAQPCT |
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-108276374-B | Flavonoid aromatase inhibitor and preparation method and application thereof | 天津科技大学 | 2020-01-31 | — | — | CN | disclosed |