Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9495395 | 0.95 | PTPN11 (0.46) | SOAT1THRATHRBPTPN11KDM4E | |
| Propene SCHEMBL27561098 | 0.90 | KDM4E (0.41) | SOAT1THRATHRBPTPN11KDM4E | |
| SCHEMBL15684600 | 0.89 | ADRB2 (0.46) | KDM4EL3MBTL1ADRB2MEN1MAPT | |
| SCHEMBL1311965 | 0.87 | L3MBTL1 (0.43) | THRATHRBPTPN11L3MBTL1MEN1 | |
| SCHEMBL4867985 | 0.87 | NR5A1 (0.49) | PTPN11KDM4EL3MBTL1CYP3A4HTR2B | |
| SCHEMBL9493586 | 0.87 | NR5A1 (0.49) | PTPN11KDM4EL3MBTL1CYP3A4HTR2B | |
| SCHEMBL19170177 | 0.87 | PTPN11 (0.40) | THRATHRBPTPN11L3MBTL1PTPN1 | |
| SCHEMBL9496552 | 0.87 | NR5A1 (0.49) | PTPN11KDM4EL3MBTL1CYP3A4HTR2B | |
| SCHEMBL13029250 | 0.87 | NR5A1 (0.49) | PTPN11KDM4EL3MBTL1CYP3A4HTR2B | |
| SCHEMBL9405922 | 0.86 | GSTP1 (0.46) | PTPN11LTA4H |
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 |