Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.50 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.50 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.50 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.50 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TLR4 | O00206 | 1/20 | 0.49 |
| ▸ | TLR2 | O60603 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL4568919 | 0.90 | MAPK1 (0.56) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL15723552 | 0.90 | MAPK1 (0.58) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL4397448 | 0.90 | TSHR (0.63) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| 1-Butyloxy-3-Methoxybenzene SCHEMBL1071738 | 0.86 | MAPK1 (0.61) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL12126283 | 0.86 | MAPK1 (0.70) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL14926627 | 0.86 | CA12 (0.51) | MAPK1LTA4HKDM4EAHR | |
| 1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 | 0.86 | TSHR (0.59) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL4568911 | 0.85 | MAPK1 (0.63) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL4568910 | 0.85 | MAPK1 (0.63) | MAPK1CYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL16667638 | 0.85 | TSHR (0.54) | MAPK1CYP1A2CYP2C19TSHRLTA4H |
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 |
|---|---|---|---|---|---|---|---|
| US-8993807-B2 | Alkoxy compounds for disease treatment | ACUCELA INC. (US) | 2015-03-31 | — | — | US | disclosed |