Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668929 | 0.86 | ALDH1A1 (0.43) | CYP3A4ALDH1A1ALOX15HSD17B10CYP1A2 | |
| SCHEMBL21586425 | 0.84 | ALDH1A1 (0.37) | CYP3A4TAAR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL19743826 | 0.80 | HTT (0.41) | CYP3A4TAAR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL26761192 | 0.80 | CYP3A4 (0.45) | CYP3A4TAAR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL11230051 | 0.78 | CYP3A4 (0.35) | CYP3A4TAAR1ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL3671147 | 0.78 | CYP3A4 (0.52) | CYP3A4ALDH1A1ALOX15HSD17B10TSHR | |
| SCHEMBL23066152 | 0.78 | LMNA (0.37) | CYP3A4ALDH1A1ALOX15HSD17B10CYP1A2 | |
| SCHEMBL14597274 | 0.77 | SCN4A (0.36) | ALDH1A1HSD17B10NOS3NOS1NOS2 | |
| SCHEMBL7101045 | 0.77 | KDM4E (0.47) | ALDH1A1ALOX15HSD17B10CYP1A2CASP7 | |
| SCHEMBL17744510 | 0.77 | ALDH1A1 (0.40) | CYP3A4ALDH1A1ALOX15HSD17B10CYP1A2 |
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-2018011201-A1 | HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA A/S (DK) | 2018-01-18 | — | — | WO | disclosed |