Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11045864 | 1.00 | VCAM1 (0.39) | VCAM1CYP2C9SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL11047898 | 0.84 | CYP2C9 (0.39) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL11047893 | 0.84 | CYP2C9 (0.39) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL11048678 | 0.84 | MAPT (0.49) | CYP2C9SMN1; SMN2MAPTALDH1A1LMNA | |
| SCHEMBL11048672 | 0.84 | MAPT (0.49) | CYP2C9SMN1; SMN2MAPTALDH1A1LMNA | |
| SCHEMBL11064485 | 0.82 | CYP2C9 (0.40) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL11064481 | 0.82 | CYP2C9 (0.40) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL6688383 | 0.81 | CYP2C9 (0.40) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL9837944 | 0.80 | MAPT (0.46) | CYP2C9MAPTALDH1A1LMNAMEN1 | |
| SCHEMBL9837935 | 0.80 | MAPT (0.46) | CYP2C9MAPTALDH1A1LMNAMEN1 |
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 |