Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | LSS | P48449 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8034940 | 0.98 | ESR2 (0.40) | ESR2KDM1AMAOAMAOBDGAT1 | |
| SCHEMBL8034938 | 0.98 | ESR2 (0.40) | ESR2KDM1AMAOAMAOBDGAT1 | |
| SCHEMBL8034935 | 0.98 | ESR2 (0.40) | ESR2KDM1AMAOAMAOBDGAT1 | |
| SCHEMBL8036306 | 0.96 | ESR2 (0.38) | ESR2KDM1AMAOAMAOBDGAT1 | |
| SCHEMBL9250432 | 0.94 | ESR2 (0.42) | ESR2DRD2IDO1CYP2C9HTR3A | |
| SCHEMBL9250428 | 0.94 | ESR2 (0.42) | ESR2DRD2IDO1CYP2C9HTR3A | |
| SCHEMBL9250423 | 0.94 | ESR2 (0.42) | ESR2DRD2IDO1CYP2C9HTR3A | |
| SCHEMBL6142259 | 0.92 | DGAT1 (0.36) | ESR2KDM1AMAOAMAOBDGAT1 | |
| SCHEMBL9136639 | 0.90 | ESR2 (0.40) | ESR2DRD2IDO1CYP2C9HTR3A | |
| SCHEMBL6142127 | 0.87 | ESR2 (0.38) | ESR2DRD2IDO1CYP2C9HTR3A |
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 3 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-0497176-A2 | Four rings compounds and liquid crystal mixtures containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |