Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9399034 | 0.90 | RARB (0.50) | RARBPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL9399411 | 0.89 | RARB (0.48) | RARBESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8555801 | 0.86 | RAB9A (0.49) | RARBPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL9399921 | 0.86 | RARB (0.52) | RARBKDM4EALDH1A1HSD17B10TP53 | |
| SCHEMBL9398829 | 0.86 | RARB (0.46) | RARBKDM4EALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL9398666 | 0.86 | RARB (0.49) | RARBPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL8992409 | 0.84 | RAB9A (0.56) | RARBPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL9449622 | 0.84 | RAB9A (0.56) | RARBPTGS2ESR1ADRA2AADORA3 | |
| SCHEMBL9399018 | 0.84 | RARB (0.53) | RARBKDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL8984207 | 0.84 | RARB (0.54) | RARBPTGS2ESR1ADRA2AADORA3 |
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-0428665-B1 | FLUOROPHENYL PYRIMIDINES | MERCK PATENT GMBH (DE) | 1995-04-05 | — | — | EP | disclosed |
| US-5340497-A | Ferroelectric liquid crystal | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-08-23 | — | — | US | disclosed |
| EP-0428665-A1 | FLUOROPHENYL PYRIMIDINES. | MERCK PATENT GMBH (DE) | 1991-05-29 | — | — | EP | disclosed |
| WO-1990015116-A1 | FLUOROPHENYL PYRIMIDINES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-12-13 | — | — | WO | disclosed |