Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.86 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.86 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL11794798 | 0.83 | NQO1 (0.93) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL27616183 | 0.80 | NQO1 (0.88) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| Bromoethane SCHEMBL9702775 | 0.80 | NQO1 (0.67) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL3720666 | 0.80 | NQO1 (0.67) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL20442602 | 0.80 | NQO1 (0.67) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL10454738 | 0.80 | SMN1; SMN2 (0.48) | NQO1TDP1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2546032 | 0.79 | DRD2 (0.48) | NQO1TDP1MAPTNPC1 | |
| SCHEMBL18358 | 0.79 | NQO1 (0.74) | NQO1TSHRTDP1LTA4HALDH1A1 |
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-1565433-A2 | NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS | Galderma Research & Development, S.N.C. (FR) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004046096-A2 | NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAF RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS | GALDERMA RESEARCH & DEVELOPMENT,S.N.C. (FR) | 2004-06-03 | — | — | WO | disclosed |