Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1346465 | 0.88 | LRRK2 (0.54) | ALDH1A1LRRK2KDM4EGPR3RAF1 | |
| Quinoline SCHEMBL28251318 | 0.80 | ALDH1A1 (0.57) | ALDH1A1LRRK2CYP3A4KDM4EGPR3 | |
| Quinoline SCHEMBL28074108 | 0.80 | ALDH1A1 (0.57) | ALDH1A1LRRK2CYP3A4KDM4EGPR3 | |
| SCHEMBL28497955 | 0.80 | PDGFRB (0.45) | KDM4ERAF1MAP2K1 | |
| Quinoline SCHEMBL28280298 | 0.78 | MAP2K1 (0.65) | ALDH1A1LRRK2RAF1MAP2K1 | |
| SCHEMBL4985360 | 0.76 | PIN1 (0.43) | ALDH1A1LRRK2KDM4ERAF1MAP2K1 | |
| SCHEMBL6646968 | 0.75 | KDM4E (0.39) | ALDH1A1LRRK2KDM4EPIN1KDM4D | |
| Phenanthridine SCHEMBL6611376 | 0.73 | KDM4E (0.77) | ALDH1A1CYP3A4KDM4EGPR3NR4A2 | |
| SCHEMBL5256575 | 0.72 | ALDH1A1 (0.46) | ALDH1A1LRRK2KDM4ELMNAMAPT | |
| SCHEMBL19877265 | 0.72 | SRC (0.47) | NR4A2LMNA |
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-110204490-A | A kind of two replace the preparation method of 4- chloroquinoline -3- 6-carbonitrile derivatives and Bosutinib | 新发药业有限公司 | 2019-09-06 | — | — | CN | disclosed |