Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.37 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16852381 | 0.99 | THRA (0.42) | THRATHRBS1PR1S1PR3S1PR4 | |
| SCHEMBL16852369 | 0.95 | CCNT1 (0.39) | THRATHRBS1PR1S1PR3S1PR4 | |
| SCHEMBL16852383 | 0.91 | FFAR1 (0.42) | S1PR1S1PR3S1PR4S1PR5ESR1 | |
| SCHEMBL1312091 | 0.91 | THRA (0.46) | THRATHRBS1PR1S1PR3S1PR4 | |
| SCHEMBL12113636 | 0.90 | PTPN11 (0.43) | THRATHRBS1PR1S1PR3S1PR4 | |
| SCHEMBL14062467 | 0.86 | S1PR1 (0.45) | THRATHRBS1PR1S1PR3S1PR4 | |
| SCHEMBL16852365 | 0.86 | THRA (0.46) | THRATHRBS1PR1S1PR3S1PR4 | |
| SCHEMBL16855845 | 0.85 | CNR2 (0.41) | THRATHRBS1PR1S1PR3S1PR4 | |
| SCHEMBL16852379 | 0.85 | FAAH (0.41) | PPARD | |
| SCHEMBL16852376 | 0.85 | THRA (0.42) | THRATHRBS1PR1S1PR3S1PR4 |
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-9951274-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2018-04-24 | — | — | US | disclosed |
| US-20150175884-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | US | disclosed |