Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 8/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CDK7 | P50613 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CCNH | P51946 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | PLEC | Q15149 | 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 | |
|---|---|---|---|---|
| SCHEMBL21311033 | 0.76 | GAA (0.41) | PRSS1HDAC6KDM4EALDH1A1GAA | |
| SCHEMBL14708998 | 0.74 | INSR (0.33) | PRSS1CCNT1CCNE1CDK2CDK7 | |
| SCHEMBL21311034 | 0.74 | ALDH1A1 (0.46) | PRSS1CCNT1CCNE1CDK2CDK7 | |
| SCHEMBL21310771 | 0.72 | GAA (0.58) | KDM4EALDH1A1GAAMAPTTHRB | |
| SCHEMBL21310905 | 0.71 | THRB (0.34) | PRSS1HDAC6KDM4EALDH1A1GAA | |
| SCHEMBL21310772 | 0.71 | HDAC6 (0.48) | PRSS1HDAC6KDM4EALDH1A1GAA | |
| SCHEMBL21310782 | 0.70 | AAK1 (0.40) | PRSS1HDAC6KDM4EALDH1A1GAA | |
| SCHEMBL15323160 | 0.70 | HDAC1 (0.44) | PRSS1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL21311042 | 0.70 | HDAC1 (0.40) | PRSS1CCNE1CDK2CDK7CCNH | |
| SCHEMBL20282982 | 0.69 | LNPEP (0.45) | HDAC6GAAMAPTLNPEP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013024427-A1 | NOVEL UREA DERIVATIVES AS TEC KINASE INHIBITORS AND USES THEREOF | GLENMARK PHARMACEUTICALS S.A. (CH) | 2013-02-21 | — | — | WO | disclosed |