Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR1E | P28566 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8895074 | 1.00 | ESR1 (0.39) | ESR1ESR2EPHX2PPARGL3MBTL1 | |
| SCHEMBL8562345 | 0.86 | ESR1 (0.39) | ESR1ESR2EPHX2PPARGTMEM97 | |
| SCHEMBL7560796 | 0.81 | ESR1 (0.42) | ESR1ESR2TMEM97SIGMAR1HTR1A | |
| SCHEMBL7474127 | 0.78 | TMEM97 (0.43) | ESR1ESR2TMEM97SIGMAR1HTR1A | |
| SCHEMBL8561814 | 0.75 | ESR1 (0.36) | ESR1ESR2TMEM97SIGMAR1HTR1A | |
| Hydrochloric Acid SCHEMBL8560650 | 0.74 | HSD17B10 (0.40) | ESR1PPARGL3MBTL1TMEM97SIGMAR1 | |
| SCHEMBL8897713 | 0.74 | MEN1 (0.35) | ESR1ESR2EPHX2PPARGMEN1 | |
| SCHEMBL8567193 | 0.73 | ESR1 (0.43) | ESR1ESR2EPHX2MEN1KMT2A | |
| SCHEMBL8567198 | 0.73 | ESR1 (0.43) | ESR1ESR2EPHX2MEN1KMT2A | |
| SCHEMBL8563060 | 0.72 | HDAC1 (0.45) | ESR1ESR2HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5612335-A | ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART | KARL THOMAE GMBH (DE) | 1997-03-18 | — | — | US | disclosed |
| US-5519036-A | IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION | KARL THOMAE GMBH (DE) | 1996-05-21 | — | — | US | disclosed |
| EP-0612741-A1 | Cyclic derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1994-08-31 | — | — | EP | disclosed |