Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 2/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9990446 | 0.83 | CHKA (0.53) | CHKAKDM4EALDH1A1CSF1RMAPT | |
| SCHEMBL1377414 | 0.80 | MEN1 (0.38) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL30657670 | 0.80 | MEN1 (0.38) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL12304311 | 0.80 | ALDH1A1 (0.45) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL7768070 | 0.80 | ALDH1A1 (0.37) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL10065558 | 0.80 | ALDH1A1 (0.45) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL14186205 | 0.80 | ALDH1A1 (0.45) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL10065710 | 0.80 | ALDH1A1 (0.45) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL13714194 | 0.79 | ALDH1A1 (0.41) | KDM4EALDH1A1TDP1CYP3A4MAPT | |
| SCHEMBL8646875 | 0.78 | ALDH1A1 (0.35) | KDM4EALDH1A1TDP1CYP3A4MAPT |
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-105152970-A | Diimine palladium catalyst with great steric hindrance, and ligand, preparation method and application thereof | USTC UNIV SCIENCE TECH CN | 2015-12-16 | — | — | CN | disclosed |