Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17138204 | 0.92 | TSHR (0.49) | TP53CYP3A4MAPK1TSHRHIF1A | |
| SCHEMBL4568778 | 0.84 | KMT2A (0.50) | MAPK1CYP1A2CYP2D6CYP2C19TSHR | |
| Ethylene SCHEMBL27903282 | 0.82 | ALDH1A1 (0.43) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL28500013 | 0.82 | APP (0.38) | TP53CYP3A4MAPK1TSHRHIF1A | |
| 1,3-Diethoxybenzene SCHEMBL1100167 | 0.82 | TP53 (0.71) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL17138148 | 0.81 | HIF1A (0.47) | TP53CYP3A4MAPK1TSHRHIF1A | |
| SCHEMBL2205973 | 0.81 | TAAR1 (0.48) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL29818970 | 0.81 | TAAR1 (0.48) | TP53CYP3A4MAPK1CYP1A2CYP2D6 | |
| SCHEMBL4568788 | 0.81 | GPBAR1 (0.52) | MAPK1TSHRHIF1AGAA | |
| SCHEMBL4568807 | 0.81 | GPBAR1 (0.52) | MAPK1TSHRHIF1AGAA |
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-2091955-A1 | ALKOXY COMPOUNDS FOR DISEASE TREATMENT | Acucela, Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2009045479-A1 | ALKOXY COMPOUNDS FOR DISEASE TREATMENT | ACUCELA INC. (US) | 2009-04-09 | — | — | WO | disclosed |