Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 4/20 | 0.34 |
| ▸ | INSR | P06213 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563060 | 0.81 | HDAC1 (0.45) | ESR1ESR2HDAC6P2RX3ABCB1 | |
| SCHEMBL7472374 | 0.79 | TMEM97 (0.43) | ESR1ESR2KDM4EHRH1CSF1R | |
| SCHEMBL7472118 | 0.77 | ESR1 (0.41) | ESR1ESR2HDAC6CYP2C9CYP2C19 | |
| SCHEMBL8562345 | 0.73 | ESR1 (0.39) | ESR1ESR2HDAC6KDM4EHRH1 | |
| SCHEMBL7282786 | 0.72 | KDM4E (0.43) | EP300CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8562237 | 0.71 | ESR1 (0.39) | ESR1ESR2HDAC6 | |
| SCHEMBL8562233 | 0.71 | ESR1 (0.39) | ESR1ESR2HDAC6 | |
| SCHEMBL1364938 | 0.70 | ESR2 (0.52) | ESR1ESR2HDAC6P2RX3 | |
| SCHEMBL8565997 | 0.70 | ESR1 (0.40) | ESR1ESR2HDAC6SMN1; SMN2 | |
| SCHEMBL8561721 | 0.70 | ESR1 (0.40) | ESR1ESR2HDAC6ABCB1ACACB |
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-0612741-B1 | Cyclic derivatives, medicaments containing them and process for their preparation | THOMAE GMBH DR K (DE) | 1998-06-10 | — | — | EP | disclosed |
| 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 |