Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | RARB | P10826 | 2/20 | 0.39 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9458092 | 0.86 | THRB (0.49) | THRBTHRARARBRARARARG | |
| SCHEMBL9192300 | 0.86 | THRB (0.49) | THRBTHRARARBRARARARG | |
| SCHEMBL9406599 | 0.86 | THRB (0.50) | THRBTHRAS1PR1RARBRARA | |
| SCHEMBL9457709 | 0.83 | RARB (0.50) | THRBTHRARARBRARARARG | |
| SCHEMBL9126712 | 0.83 | MAPT (0.51) | THRBTHRAS1PR1S1PR4S1PR2 | |
| SCHEMBL9126708 | 0.83 | MAPT (0.51) | THRBTHRAS1PR1S1PR4S1PR2 | |
| SCHEMBL9561548 | 0.83 | PRSS1 (0.38) | THRBPPARAPPARG | |
| SCHEMBL9562026 | 0.82 | CYP2C9 (0.34) | THRBTHRAS1PR3MAPTSMN1; SMN2 | |
| SCHEMBL9562030 | 0.82 | CYP2C9 (0.34) | THRBTHRAS1PR3MAPTSMN1; SMN2 | |
| SCHEMBL9562079 | 0.81 | ALDH1A1 (0.41) | S1PR3RARBRARARARGPPARA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| EP-0332025-B1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES | MERCK PATENT GmbH (DE) | 1993-06-23 | — | — | EP | disclosed |
| EP-0357739-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK PATENT GmbH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008639-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332025-A1 | Chiral derivatives of 1,2-difluorobenzenes | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |