Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 6/20 | 0.35 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | NNMT | P40261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20599509 | 0.84 | SMN1; SMN2 (0.43) | CASP1KMT2APDE4APDE4BPDE4C | |
| SCHEMBL20599378 | 0.82 | PDE4A (0.38) | KMT2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7722575 | 0.79 | NNMT (0.53) | MYCPARP1NNMT | |
| SCHEMBL20599383 | 0.78 | HSP90AB1 (0.38) | KMT2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29574628 | 0.78 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20599363 | 0.78 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20619364 | 0.78 | PDE4A (0.34) | PDE4APDE4BPDE4CPDE4DSOS2 | |
| SCHEMBL893997 | 0.75 | KMT2A (0.42) | CASP1KMT2AATMPARP1NNMT | |
| SCHEMBL26808076 | 0.74 | PDE4B (0.37) | KMT2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL20602090 | 0.74 | ALDH1A1 (0.34) | KMT2APDE4APDE4BPDE4CPDE4D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728744-B1 | Process for the preparation of carboxylic acids of nitrogen-containing heterocycles | LONZA AG (CH) | 2002-04-10 | — | — | EP | disclosed |
| EP-0627422-B1 | Process for the preparation of carboxamides of nitrogen-containing aromatic heterocycles | LONZA AG (CH) | 1997-04-09 | — | — | EP | disclosed |
| EP-0728744-A2 | Process for the preparation of carboxylic acids of nitrogen-containing heterocycles | LONZA A.G. (CH) | 1996-08-28 | — | — | EP | disclosed |
| EP-0627422-A2 | Process for the preparation of carboxamides of nitrogen-containing aromatic heterocycles, as well as their use | LONZA A.G. (CH) | 1994-12-07 | — | — | EP | disclosed |