Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7845774 | 0.76 | GABRR1 (0.46) | APEX1GABRR1CYP1A2 | |
| SCHEMBL2350703 | 0.76 | ALOX5 (0.40) | APEX1GABRR1CYP1A2 | |
| SCHEMBL159086 | 0.76 | ALOX5 (0.40) | APEX1GABRR1CYP1A2 | |
| SCHEMBL17530133 | 0.72 | GABRR1 (0.42) | APEX1GABRR1CYP1A2 | |
| SCHEMBL9737215 | 0.70 | — | — | |
| SCHEMBL10633598 | 0.70 | APEX1 (0.41) | APEX1GABRR1CYP1A2 | |
| SCHEMBL15693292 | 0.70 | — | — | |
| SCHEMBL10633609 | 0.70 | APEX1 (0.41) | APEX1GABRR1CYP1A2 | |
| SCHEMBL17347852 | 0.69 | CYP2D6 (0.50) | APEX1GABRR1CYP1A2HSD17B10 | |
| SCHEMBL11437641 | 0.69 | CYP2D6 (0.50) | APEX1GABRR1CYP1A2HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5098599-A | Aromatic esters with sulfide groups as liquid crystals | MITSUBISHI RAYON COMPANY LTD. (JP) | 1992-03-24 | — | — | US | disclosed |
| EP-0354355-A1 | Optically active compound and liquid crystal composition | MITSUBISHI RAYON CO., LTD. (JP) | 1990-02-14 | — | — | EP | disclosed |