Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.84 |
| ▸ | BCHE | P06276 | 1/20 | 0.84 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.73 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | XDH | P47989 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.67 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.67 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | FOS | P01100 | 1/20 | 0.62 |
| ▸ | JUN | P05412 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28670846 | 1.00 | MAOB (0.84) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL8987297 | 0.91 | BCHE (1.00) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL11343789 | 0.91 | MAOB (1.00) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL8987299 | 0.91 | BCHE (1.00) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL1180395 | 0.91 | MAOB (1.00) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL25219562 | 0.89 | MAOB (0.84) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL25190646 | 0.89 | MAOB (0.84) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL25195133 | 0.87 | MAOB (0.77) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL14692629 | 0.87 | MAOB (0.82) | MAOBBCHECYP1B1CYP1A1CYP1A2 | |
| SCHEMBL25191354 | 0.87 | MAOB (0.77) | MAOBBCHECYP1B1CYP1A1CYP1A2 |
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-108707056-B | Synthetic method of ketone compound | 广东工业大学 | 2021-11-26 | — | — | CN | disclosed |