Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | NEK1 | Q96PY6 | 4/20 | 0.37 |
| ▸ | AXL | P30530 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27775523 | 0.90 | NPC1 (0.42) | PHGDHKMT2ANPC1RAB9ACDK8 | |
| SCHEMBL1952325 | 0.86 | CKS1B (0.49) | KMT2ALMNATSHRALDH1A1MEN1 | |
| SCHEMBL3631784 | 0.84 | GPR119 (0.38) | — | |
| SCHEMBL1296781 | 0.83 | GPR119 (0.41) | KMT2ACDK8ALDH1A1 | |
| SCHEMBL1950805 | 0.82 | TP53BP1 (0.51) | KMT2ANPC1RAB9ACDK8TP53BP1 | |
| SCHEMBL1948663 | 0.79 | CDK8 (0.48) | KMT2ANPC1RAB9ACDK8MRGPRX4 | |
| Tert-Butyl Formate SCHEMBL27775525 | 0.77 | CHRM3 (0.43) | KMT2ANPC1RAB9ACDK8MRGPRX4 | |
| SCHEMBL14563194 | 0.73 | TNIK (0.33) | KMT2ALMNATSHRALDH1A1MEN1 | |
| SCHEMBL3667693 | 0.72 | MET (0.48) | — | |
| SCHEMBL2999873 | 0.71 | GPR119 (0.54) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2310013-B1 | BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS | MERCK PATENT GMBH (DE) | 2017-08-23 | — | — | EP | disclosed |
| EP-2754660-B1 | Pyridazinone derivatives | MERCK PATENT GMBH (DE) | 2016-11-02 | — | — | EP | disclosed |
| EP-2164843-B1 | PYRIDAZINONE DERIVATES | MERCK PATENT GMBH (DE) | 2014-10-29 | — | — | EP | disclosed |
| EP-2150551-B1 | 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2013-01-16 | — | — | EP | disclosed |
| EP-2310013-A1 | BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS | Merck Patent GmbH (DE) | 2011-04-20 | — | — | EP | disclosed |
| EP-2164843-A1 | PYRIDAZINONE DERIVATES | Merck Patent GmbH (DE) | 2010-03-24 | — | — | EP | disclosed |
| WO-2010017870-A1 | BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS | MERCK PATENT GMBH (DE) | 2010-02-18 | — | — | WO | disclosed |
| WO-2009006959-A1 | PYRIDAZINONE DERIVATES | MERCK PATENT GMBH (DE) | 2009-01-15 | — | — | WO | disclosed |