Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 3/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 2/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL91940 | 1.00 | TSHR (0.41) | TSHRHPGDALDH1A1CYP3A4THRB | |
| SCHEMBL91829 | 0.84 | ADORA3 (0.33) | ALDH1A1ELANERARARARBTP53 | |
| SCHEMBL91912 | 0.80 | PLA2G2A (0.39) | TSHRTHRBRARARARBPLA2G2A | |
| SCHEMBL13863811 | 0.80 | PLA2G2A (0.39) | TSHRTHRBRARARARBPLA2G2A | |
| SCHEMBL13863876 | 0.80 | PLA2G2A (0.39) | TSHRTHRBRARARARBPLA2G2A | |
| SCHEMBL13863807 | 0.80 | RARA (0.38) | TSHRCYP3A4ELANERARARARB | |
| SCHEMBL13863902 | 0.78 | RARB (0.36) | TSHRRARARARB | |
| SCHEMBL13863878 | 0.77 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL13863901 | 0.74 | L3MBTL1 (0.35) | RARARARBFFAR1THRA | |
| SCHEMBL13863920 | 0.74 | RARB (0.39) | TSHRCYP3A4THRBRARARARB |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7531106-B2 | Mesogenic compounds, medium for electro-optical displays and electro-optical display | MERCK PATENT GMBH (DE) | 2009-05-12 | — | — | US | disclosed |