Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 9/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.39 |
| ▸ | USP2 | O75604 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 6/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CCRL2 | O00421 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9105989 | 0.90 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9111037 | 0.86 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9109338 | 0.83 | ADORA3 (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9286361 | 0.82 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9105747 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9105754 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9110014 | 0.81 | DOT1L (0.39) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9288345 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9288354 | 0.81 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 | |
| SCHEMBL9107364 | 0.80 | ADORA3 (0.38) | CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10 |
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-2646444-A1 | SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES | Epizyme, Inc. (US) | 2013-10-09 | — | — | EP | disclosed |
| WO-2012075381-A1 | SUBSTITUTED PURINE AND 7 - DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES | Epizyme, Inc. (US) | 2012-06-07 | — | — | WO | disclosed |