Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.59 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.59 |
| ▸ | CDK1 | P06493 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.56 |
| ▸ | NPC1 | O15118 | 10/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.56 |
| ▸ | RAB9A | P51151 | 9/20 | 0.56 |
| ▸ | HPGD | P15428 | 8/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.56 |
| ▸ | PKM | P14618 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL784353 | 0.81 | NPC1 (0.66) | KDRCDK1ALDH1A1NPC1KDM4E | |
| SCHEMBL31677102 | 0.81 | NPC1 (0.66) | KDRCDK1ALDH1A1NPC1KDM4E | |
| SCHEMBL29825055 | 0.81 | NPC1 (0.66) | KDRCDK1ALDH1A1NPC1KDM4E | |
| Benzene SCHEMBL29179821 | 0.80 | RAB9A (0.64) | KDRCDK1ALDH1A1NPC1KDM4E | |
| SCHEMBL28116783 | 0.79 | NPC1 (0.72) | KDRCDK1ALDH1A1NPC1KDM4E | |
| SCHEMBL5513117 | 0.78 | MAP3K8 (0.63) | KDRERBB2CDK1FGFR1FLT1 | |
| SCHEMBL21297858 | 0.77 | HPGD (0.63) | KDRCDK1ALDH1A1NPC1KDM4E | |
| SCHEMBL227743 | 0.77 | NPC1 (0.78) | KDRCDK1ALDH1A1NPC1KDM4E | |
| SCHEMBL20677815 | 0.75 | NPC1 (0.75) | KDRCDK1ALDH1A1NPC1KDM4E | |
| SCHEMBL27824963 | 0.74 | RAB9A (0.60) | KDRCDK1ALDH1A1NPC1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-20210371992-A1 | ELECTROCHEMICAL ORGANIC REACTION SETUP AND METHODS | PIRAMAL PHARMA LIMITED (IN) | 2021-12-02 | — | — | US | disclosed |