Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11502759 | 0.85 | EPHX2 (0.44) | IDO1LMNAKEAP1NFE2L2CA2 | |
| SCHEMBL11502733 | 0.84 | EPHX2 (0.43) | IDO1LMNAKEAP1NFE2L2CA2 | |
| SCHEMBL11502889 | 0.81 | IDO1 (0.39) | IDO1KEAP1NFE2L2CA2EPHX2 | |
| Potassium Ion SCHEMBL11502734 | 0.81 | EPHX2 (0.44) | IDO1ALDH1A1LMNATP53KEAP1 | |
| SCHEMBL374276 | 0.80 | ALDH1A1 (0.39) | ALDH1A1LMNATP53EPHX2KDM4E | |
| SCHEMBL11502341 | 0.79 | IDO1 (0.42) | IDO1LMNAKEAP1NFE2L2CA2 | |
| SCHEMBL371418 | 0.77 | ALDH1A1 (0.40) | ALDH1A1LMNATP53EPHX2KDM4E | |
| SCHEMBL11503067 | 0.77 | IDO1 (0.41) | IDO1LMNACA2 | |
| Potassium Ion SCHEMBL11502890 | 0.76 | IDO1 (0.38) | IDO1ALDH1A1LMNATP53KEAP1 | |
| SCHEMBL14031180 | 0.76 | HRH2 (0.40) | ALDH1A1LMNATP53EPHX2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2409693-A2 | Isothiocyanates and derivatives for use in the treatment and / or prevention of polymorphous light eruptions | Auriga International (BE) | 2012-01-25 | — | — | EP | disclosed |