Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 5/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 3/20 | 0.39 |
| ▸ | RARA | P10276 | 2/20 | 0.39 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9561846 | 0.89 | THRB (0.36) | ALDH1A1PTPN11S1PR3PPARGPLA2G4B | |
| SCHEMBL9561850 | 0.89 | THRB (0.36) | ALDH1A1PTPN11S1PR3PPARGPLA2G4B | |
| SCHEMBL9561548 | 0.88 | PRSS1 (0.38) | ALDH1A1PPARAPPARGPRSS1PRSS2 | |
| SCHEMBL9164667 | 0.83 | PTPN11 (0.56) | ALDH1A1PTPN11S1PR3PLA2G4BPTPN1 | |
| SCHEMBL9191916 | 0.83 | PTPN11 (0.56) | ALDH1A1PTPN11S1PR3PLA2G4BPTPN1 | |
| SCHEMBL9407189 | 0.83 | PTPN11 (0.56) | ALDH1A1PTPN11S1PR3PLA2G4BPTPN1 | |
| SCHEMBL8375387 | 0.82 | KMT2A (0.53) | ALDH1A1PTPN11PTPN1MAPTPRSS1 | |
| SCHEMBL8450147 | 0.81 | RARB (0.51) | PTPN11PPARAPPARGRARBRARA | |
| SCHEMBL8450140 | 0.81 | RARB (0.51) | PTPN11PPARAPPARGRARBRARA | |
| SCHEMBL8450144 | 0.81 | RARB (0.51) | PTPN11PPARAPPARGRARBRARA |
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 |