Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL6534766 | 0.89 | NR5A1 (0.43) | NR5A1THRATHRBPTPN11LTA4H | |
| SCHEMBL9341726 | 0.88 | NR5A1 (0.40) | NR5A1THRATHRBLMNAMAPT | |
| SCHEMBL17809785 | 0.88 | THRB (0.38) | THRATHRBSMPD1ALDH1A1HPGD | |
| SCHEMBL7461898 | 0.86 | SMPD1 (0.37) | THRATHRBSMPD1ALDH1A1HPGD | |
| SCHEMBL8044637 | 0.86 | SMPD1 (0.37) | THRATHRBSMPD1ALDH1A1HPGD | |
| SCHEMBL9343386 | 0.85 | RARB (0.44) | THRATHRBALDH1A1HPGDMEN1 | |
| SCHEMBL9346808 | 0.85 | RARB (0.44) | THRATHRBALDH1A1HPGDMEN1 | |
| SCHEMBL9346749 | 0.85 | RARB (0.44) | THRATHRBALDH1A1HPGDMEN1 | |
| SCHEMBL9345797 | 0.85 | RARB (0.44) | THRATHRBALDH1A1HPGDMEN1 | |
| SCHEMBL9341889 | 0.85 | RARB (0.44) | THRATHRBALDH1A1HPGDMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0817773-B1 | PYRIMIDINE COMPOUNDS | QINETIQ LTD (GB) | 2002-06-12 | — | — | EP | disclosed |
| US-5972241-A | ELECTROOPTICAL APPLICATIONS, IN PARTICULAR THOSE WHICH REQUIRE COMPACT, ENERGY-EFFICIENT, VOLTAGE-CONTROLLED LIGHT VALVES, E.G., WATCHES AND COMPUTERS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 1999-10-26 | — | — | US | disclosed |
| EP-0373191-B1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GMBH (DE) | 1994-07-13 | — | — | EP | disclosed |
| US-5209866-A | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| EP-0373191-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-06-20 | — | — | EP | disclosed |
| WO-1989008649-A1 | HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |