Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 3/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8108926 | 0.90 | S1PR1 (0.41) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9483389 | 0.88 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9477667 | 0.88 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9484989 | 0.88 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9484258 | 0.88 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9484995 | 0.88 | THRA (0.53) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL8652239 | 0.88 | LOXL2 (0.45) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9484097 | 0.87 | THRA (0.52) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9399556 | 0.87 | THRA (0.52) | S1PR1S1PR3S1PR4S1PR5THRA | |
| SCHEMBL9484969 | 0.87 | THRA (0.51) | S1PR1S1PR3S1PR4S1PR5THRA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445257-B1 | PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 1996-03-13 | — | — | EP | disclosed |
| US-5204477-A | PYRIDINE DERIVATIVES IN LIQUID CRYSTALLINE MEDIUM USEFUL FOR ELECTROOPTICAL DISPLAY ELEMENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0445257-A1 | PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |
| WO-1991004249-A1 | PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |