Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8140756 | 0.87 | NPC1 (0.47) | NQO1ALDH1A1SMN1; SMN2LTA4HRECQL | |
| SCHEMBL13303281 | 0.86 | LTA4H (0.57) | TSHRLTA4HCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5726997 | 0.83 | MAPK1 (0.56) | NQO1KDM4EALDH1A1TDP1TSHR | |
| SCHEMBL2412878 | 0.82 | LMNA (0.55) | KDM4EALDH1A1SMN1; SMN2TDP1LTA4H | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.82 | NQO1 (1.00) | NQO1KDM4EALDH1A1SMN1; SMN2TDP1 | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.82 | NQO1 (1.00) | NQO1KDM4EALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL896082 | 0.81 | CA12 (0.52) | KDM4EALDH1A1SMN1; SMN2TDP1L3MBTL1 | |
| SCHEMBL2414381 | 0.81 | DRD2 (0.55) | KDM4EALDH1A1SMN1; SMN2L3MBTL1 | |
| 4-Ethoxy-1-Propoxybenzene SCHEMBL2841577 | 0.80 | NQO1 (0.74) | NQO1KDM4EALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL14984021 | 0.80 | NQO1 (0.74) | NQO1KDM4EALDH1A1SMN1; SMN2TDP1 |
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-2018140809-A1 | MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE | Arvinas, Inc. (US) | 2018-08-02 | — | — | WO | disclosed |