Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | DRD1 | P21728 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL57491 | 0.82 | CYP2D6 (0.80) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL30143833 | 0.75 | CYP2D6 (0.69) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL229946 | 0.75 | CYP2D6 (0.69) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL31539931 | 0.75 | CYP2D6 (0.63) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL11701437 | 0.75 | CYP2D6 (0.63) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL3469210 | 0.73 | CYP2D6 (0.61) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL1968010 | 0.72 | CYP2D6 (0.59) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL8507125 | 0.72 | CYP2D6 (0.59) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL28366068 | 0.72 | CYP2D6 (0.65) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL14720136 | 0.70 | CYP2C19 (0.62) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 |
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-111334288-B | Wash-free fluorescent probe for fixed-point detection of copper ions in living cells | 中国科学院大连化学物理研究所 | 2023-02-17 | — | — | CN | disclosed |