Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 1.00 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.64 |
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL374148 | 0.83 | EGFR (0.71) | EGFRERBB3TNNI3KNPC1RAB9A | |
| SCHEMBL2176919 | 0.83 | EGFR (0.71) | EGFRERBB3TNNI3KKDM4EMAPT | |
| SCHEMBL12482486 | 0.82 | EGFR (0.70) | EGFRERBB3TNNI3KKDM4EMAPT | |
| SCHEMBL2177111 | 0.82 | EGFR (0.70) | EGFRERBB3TNNI3KKDM4EMAPT | |
| SCHEMBL2174704 | 0.81 | EGFR (0.67) | EGFRERBB3KDM4EMAPTMAPK1 | |
| SCHEMBL2176219 | 0.80 | EGFR (0.67) | EGFRERBB3TNNI3KMAPK1NPC1 | |
| SCHEMBL27318793 | 0.80 | EGFR (0.67) | EGFRERBB3TNNI3KNPC1RAB9A | |
| SCHEMBL3952295 | 0.80 | EGFR (0.66) | EGFRERBB3TNNI3KKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL2173883 | 0.78 | EGFR (0.64) | EGFRERBB3TNNI3KKDM4EMAPT | |
| SCHEMBL374472 | 0.78 | EGFR (0.64) | EGFRERBB3TNNI3KMAPTCDK1 |
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-2519501-A2 | SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS | Technische Universität Wien (AT) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011079343-A2 | SUBSTITUTED PYRIDINES AND PYRIMIDINES | TECHNISCHE UNIVERSITAET WIEN (AT) | 2011-07-07 | — | — | WO | disclosed |