Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4903209 | 0.84 | ROCK2 (0.48) | PIK3CDBRAFHIF1AEGFRSRC | |
| SCHEMBL4629366 | 0.72 | PIK3CD (0.46) | PIK3CDEGFRSRCMAPK1KMT2A | |
| SCHEMBL4912602 | 0.72 | PIK3CD (0.49) | PIK3CDMAPK1LMNAAURKBRPS6KB1 | |
| SCHEMBL14066911 | 0.72 | PIK3CD (0.57) | PIK3CDBRAFMAPK1KMT2AAURKB | |
| SCHEMBL4629359 | 0.71 | AURKB (0.67) | PIK3CDNLRP3MAPK1ALOX15KMT2A | |
| SCHEMBL4912933 | 0.69 | CLK4 (0.48) | PIK3CDHIF1AMAPK1CYP1A2CYP3A4 | |
| SCHEMBL4170615 | 0.67 | JAK2 (0.51) | HIF1AMAPK1AURKBRPS6KB1CHEK1 | |
| SCHEMBL4627720 | 0.67 | MAPKAPK2 (0.60) | BRAFMAPK1CYP3A4AURKBGSK3B | |
| SCHEMBL4898803 | 0.67 | ROCK2 (0.50) | HIF1AEGFRSRCMAPK1KMT2A | |
| SCHEMBL4907478 | 0.67 | NLRP3 (0.55) | HIF1AEGFRNLRP3MAPK1GABRA1 |
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-1910312-A1 | QUADRATIC ACID II DERIVATIVES | Merck Patent GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007014608-A1 | QUADRATIC ACID II DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-08 | — | — | WO | disclosed |