Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11064481 | 1.00 | CYP2C9 (0.40) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL11047898 | 0.90 | CYP2C9 (0.39) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL11047893 | 0.90 | CYP2C9 (0.39) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL9749248 | 0.84 | CYP2C9 (0.45) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL11108050 | 0.83 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL11129529 | 0.83 | ALDH1A1 (0.43) | ALDH1A1XDH | |
| SCHEMBL11108055 | 0.83 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL11129530 | 0.83 | ALDH1A1 (0.43) | ALDH1A1XDH | |
| SCHEMBL11045872 | 0.82 | VCAM1 (0.39) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL11045864 | 0.82 | VCAM1 (0.39) | CYP2C9MAPTMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4456545-A | Dichroitic anthraquinone dyestuffs useful in liquid crystalline dielectrics and electro-optical indicator elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-06-26 | — | — | US | disclosed |