Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.33 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.32 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4537519 | 0.87 | KDM4E (0.34) | MAPK1LMNAHSD17B10KDM4EPIK3CD | |
| SCHEMBL4534782 | 0.86 | BTK (0.38) | CLK4MAPK1LMNAPIK3CDBTK | |
| SCHEMBL3703411 | 0.83 | PIK3R2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3703403 | 0.83 | PIK3R2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL4531006 | 0.76 | SGK1 (0.33) | CYP3A4CYP2D6PIK3CDPIK3CGEGFR | |
| SCHEMBL4569394 | 0.75 | PIK3R2 (0.39) | PIK3CDPIK3CGPIK3R2ABCB11TBXA2R | |
| SCHEMBL291170 | 0.73 | HTT (0.34) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL23019062 | 0.71 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL864838 | 0.70 | PIK3CD (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL864839 | 0.70 | PIK3CD (0.46) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 |
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-2637669-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |