Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GLB1 | P16278 | 1/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 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 | |
|---|---|---|---|---|
| SCHEMBL28276079 | 0.84 | GAA (0.40) | ALDH1A1MAPK1CYP2C19HSD17B10KMT2A | |
| SCHEMBL3935779 | 0.70 | HSD17B10 (0.47) | ALDH1A1MAPK1CYP2C19HSD17B10KMT2A | |
| SCHEMBL2344955 | 0.69 | KDM4E (0.38) | ALDH1A1MAPK1CYP2C19HSD17B10KMT2A | |
| SCHEMBL28146960 | 0.68 | KMT2A (0.40) | ALDH1A1MAPK1CYP2C19HSD17B10KMT2A | |
| SCHEMBL3930136 | 0.67 | HSD17B10 (0.47) | ALDH1A1MAPK1CYP2C19HSD17B10KMT2A | |
| SCHEMBL28811227 | 0.67 | CYP11B2 (0.56) | ALDH1A1CYP2C19HSD17B10KMT2AMEN1 | |
| SCHEMBL7647965 | 0.66 | GPR3 (0.52) | ALDH1A1CYP2C19KMT2AGAAMEN1 | |
| SCHEMBL17373445 | 0.66 | MAPK1 (0.44) | ALDH1A1MAPK1CYP2C19KMT2AMEN1 | |
| SCHEMBL17883139 | 0.65 | IL1R1 (0.51) | ALDH1A1MAPK1KMT2AGAAMEN1 | |
| SCHEMBL17883125 | 0.65 | ALDH1A1 (0.50) | ALDH1A1MAPK1CYP2C19HSD17B10KMT2A |
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-106008476-B | 3- (2-aryl-1H-indole-3-yl) -4-hydroxycoumarin derivative and synthetic method thereof | 苏州大学 | 2019-02-26 | — | — | CN | disclosed |