Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620724 | 0.88 | KDM1A (0.46) | KDM1ARPS6KB1CACNA1BRAB9ANPC1 | |
| SCHEMBL19892791 | 0.88 | KDM1A (0.46) | KDM1ARPS6KB1CACNA1BRAB9ANPC1 | |
| SCHEMBL21291855 | 0.88 | KDM1A (0.46) | KDM1ARPS6KB1CACNA1BRAB9ANPC1 | |
| SCHEMBL2239884 | 0.86 | MAOA (0.47) | KDM1ARPS6KB1RAB9ANPC1SIGMAR1 | |
| SCHEMBL2243037 | 0.86 | MAOA (0.47) | KDM1ARPS6KB1RAB9ANPC1SIGMAR1 | |
| SCHEMBL2239136 | 0.86 | MAOA (0.47) | KDM1ARPS6KB1RAB9ANPC1SIGMAR1 | |
| SCHEMBL2246148 | 0.86 | MAOA (0.47) | KDM1ARPS6KB1RAB9ANPC1SIGMAR1 | |
| SCHEMBL15397482 | 0.86 | KDM1A (0.50) | KDM1ARPS6KB1CACNA1BRAB9ANPC1 | |
| SCHEMBL15397583 | 0.86 | KDM1A (0.50) | KDM1ARPS6KB1CACNA1BRAB9ANPC1 | |
| SCHEMBL15397555 | 0.86 | KDM1A (0.50) | KDM1ARPS6KB1CACNA1BRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2794571-A1 | NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY | Merck Patent GmbH (DE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013096194-A1 | NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY | MERCK PATENT GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |