Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.44 |
| ▸ | FAAH | O00519 | 8/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7171629 | 0.74 | ESR1 (0.46) | HRH4ESR1ESR2 | |
| SCHEMBL15473147 | 0.73 | ABL1 (0.47) | HRH4FAAHPIK3CAESR1 | |
| SCHEMBL15343315 | 0.71 | HRH4 (0.42) | HRH4FAAHESR1TP53CYP1A2 | |
| SCHEMBL16660240 | 0.71 | FAAH (0.48) | HRH4FAAHPIK3CATP53CYP1A2 | |
| SCHEMBL15343058 | 0.71 | PRKDC (0.47) | HRH4FAAHPIK3CAESR1 | |
| SCHEMBL16665003 | 0.70 | FAAH (0.48) | HRH4FAAHPIK3CAESR1 | |
| SCHEMBL15343250 | 0.70 | CYP1A2 (0.50) | HRH4FAAHPIK3CATP53CYP1A2 | |
| SCHEMBL15473058 | 0.70 | FAAH (0.49) | HRH4FAAHPIK3CAESR1TP53 | |
| SCHEMBL16664984 | 0.70 | FAAH (0.46) | HRH4FAAHPIK3CAESR1TP53 | |
| SCHEMBL12763798 | 0.70 | HRH4 (0.54) | HRH4FAAHESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015058031-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-23 | — | — | WO | disclosed |