Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | LSS | P48449 | 1/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14403054 | 0.82 | ESR2 (0.44) | DRD2SRD5A1ESR2 | |
| SCHEMBL8731338 | 0.81 | GRIA1 (0.38) | ESR2 | |
| SCHEMBL8731340 | 0.81 | GRIA1 (0.38) | ESR2 | |
| SCHEMBL3480966 | 0.80 | SPHK1 (0.42) | DRD2ESR2 | |
| SCHEMBL8038495 | 0.80 | CYP17A1 (0.34) | — | |
| SCHEMBL1512569 | 0.76 | — | — | |
| SCHEMBL9268113 | 0.76 | DRD2 (0.39) | DRD2LSSSRD5A1SLC2A1HTR3A | |
| SCHEMBL15611742 | 0.76 | AKR1C3 (0.39) | DRD2LSSSRD5A1AKR1C3HTR3A | |
| SCHEMBL15611743 | 0.76 | AKR1C3 (0.39) | DRD2LSSSRD5A1AKR1C3HTR3A | |
| SCHEMBL15195708 | 0.76 | ESR2 (0.42) | DRD2TP53MAP1LC3BMEN1LMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0497176-B1 | Four rings compounds and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| US-5478497-A | For electro-optical purposes | HOFFMANN-LA ROCHE INC. (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0458176-B1 | Bicyclohexyl derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | EP | disclosed |
| US-5174921-A | BICYCLOHEXYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0497176-A2 | Four rings compounds and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |
| EP-0458176-A1 | Bicyclohexyl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-11-27 | — | — | EP | disclosed |