Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LOX | P28300 | 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 | |
|---|---|---|---|---|
| SCHEMBL374276 | 0.83 | ALDH1A1 (0.39) | ALDH1A1LMNATP53CYP3A4EPHX2 | |
| SCHEMBL27349318 | 0.79 | HSD17B10 (0.43) | ALDH1A1HSD17B10CYP2C9HPGDALOX15 | |
| SCHEMBL14031180 | 0.78 | HRH2 (0.40) | ALDH1A1LMNATP53EPHX2KDM4E | |
| SCHEMBL9198996 | 0.78 | ALDH1A1 (0.60) | ALDH1A1HSD17B10CYP2C9HPGDALOX15 | |
| SCHEMBL10035940 | 0.77 | IDO1 (0.39) | ALDH1A1LMNATP53EPHX2KDM4E | |
| SCHEMBL9019642 | 0.75 | HSD17B10 (0.57) | ALDH1A1HSD17B10CYP2C9HPGDALOX15 | |
| SCHEMBL10035886 | 0.74 | POLB (0.35) | ALDH1A1HPGDLMNATP53EPHX2 | |
| SCHEMBL28115492 | 0.74 | HSD17B10 (0.46) | ALDH1A1HSD17B10CYP2C9HPGDALOX15 | |
| SCHEMBL5842509 | 0.73 | KDM4E (0.38) | ALDH1A1LMNATP53EPHX2KDM4E | |
| SCHEMBL5841590 | 0.73 | ALDH1A1 (0.34) | ALDH1A1ALOX15LMNATP53EPHX2 |
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 |