Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 11/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 8/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 8/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL27961277 | 0.84 | ALDH1A1 (0.38) | ALDH1A1RXFP1CDK2 | |
| SCHEMBL237122 | 0.79 | ALDH1A1 (0.53) | ALDH1A1RXFP1 | |
| SCHEMBL31561546 | 0.79 | ALDH1A1 (0.53) | ALDH1A1RXFP1 | |
| SCHEMBL27657809 | 0.76 | ALDH1A1 (0.50) | ALDH1A1RXFP1CLK1CDK5CDK5R1 | |
| SCHEMBL2934833 | 0.76 | ALDH1A1 (0.50) | ALDH1A1RXFP1CLK1CDK5CDK5R1 | |
| SCHEMBL8447336 | 0.76 | ALDH1A1 (0.50) | ALDH1A1RXFP1CDK2 | |
| SCHEMBL5034214 | 0.76 | ALDH1A1 (0.50) | ALDH1A1RXFP1CLK1CDK5CDK5R1 | |
| SCHEMBL3963577 | 0.76 | ALDH1A1 (0.50) | ALDH1A1RXFP1MAPKAPK2 | |
| SCHEMBL6017103 | 0.72 | ALDH1A1 (0.46) | ALDH1A1RXFP1 | |
| SCHEMBL29283718 | 0.72 | HSD17B10 (0.51) | ALDH1A1RXFP1CDK5CDK5R1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104788485-B | The method for preparing antiviral agent | 百时美－施贵宝爱尔兰控股公司 | 2017-10-03 | — | — | CN | disclosed |
| CN-104788485-A | Process for preparing antiviral agent | BRISTOL MYERS SQUIBB CO | 2015-07-22 | — | — | CN | disclosed |
| CN-102675355-B | Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one | BRISTOL MYERS SQUIBB CO | 2015-05-06 | — | — | CN | disclosed |