Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.53 |
| ▸ | RET | P07949 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.42 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15264593 | 0.87 | ROCK1 (0.62) | ROCK1RETROCK2NAMPTCDK4 | |
| SCHEMBL31140520 | 0.82 | GPR84 (0.53) | MEN1MAPTKMT2ANPSR1KDM4E | |
| SCHEMBL15264946 | 0.82 | RET (0.62) | ROCK1RETROCK2NAMPTMEN1 | |
| SCHEMBL1536476 | 0.80 | CDK4 (0.43) | ROCK1CDK4CCND1MEN1MAPT | |
| SCHEMBL15264502 | 0.80 | ROCK1 (0.53) | ROCK1RETROCK2NAMPTCDK4 | |
| SCHEMBL15264313 | 0.79 | ROCK1 (0.50) | ROCK1RETROCK2NAMPTCDK4 | |
| SCHEMBL15263733 | 0.79 | ROCK1 (0.55) | ROCK1RETROCK2NAMPTCDK4 | |
| SCHEMBL15279531 | 0.79 | ROCK1 (0.54) | ROCK1RETROCK2NAMPTCDK4 | |
| SCHEMBL1536491 | 0.77 | PARP15 (0.47) | ROCK1CDK4CCND1MEN1MAPT | |
| SCHEMBL28860747 | 0.77 | PARP1 (0.66) | ROCK1ROCK2NAMPTCDK4CCND1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007042668-A1 | DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 | SANOFI-AVENTIS (FR) | 2007-04-19 | — | — | WO | disclosed |
| WO-2007042668-A1 | DERIVATIVES OF 1-AMINO-ISOQUINOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS IN THE TREATMENT OF A DYSFUNCTION ASSOCIATED WITH MCH RECEPTOR 1 | SANOFI-AVENTIS (FR) | 2007-04-19 | — | — | WO | disclosed |