Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.59 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.59 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.59 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.59 |
| ▸ | AHR | P35869 | 2/20 | 0.53 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL2905322 | 0.85 | AHR (0.49) | AHRPDK2MAPTCA9HSD17B10 | |
| SCHEMBL6722121 | 0.84 | NPC1 (0.47) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL28732081 | 0.83 | NPC1 (0.58) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL31602046 | 0.78 | NPC1 (0.44) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL21196716 | 0.78 | NPC1 (0.44) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL29365738 | 0.77 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL10032 | 0.77 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4227502 | 0.77 | NPC1 (1.00) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Hydrochloric Acid SCHEMBL30293252 | 0.75 | NPC1 (0.96) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL16254014 | 0.75 | HSD17B10 (0.46) | AHRPDK2MAPTCA9HSD17B10 |
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-114507212-B | Benzoindoline-dihydroquinolinone derivative fluorescent probe and preparation method and application thereof | 河南理工大学 | 2023-03-24 | — | — | CN | claimed |