Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.45 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566035 | 0.81 | ESR1 (0.40) | ESR1ESR2HDAC6ABCB1ABCG2 | |
| SCHEMBL7474127 | 0.79 | TMEM97 (0.43) | ESR1ESR2S1PR1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL8558787 | 0.78 | HDAC1 (0.52) | HDAC1GRIN1GRIN2BS1PR1DRD2 | |
| SCHEMBL7560796 | 0.77 | ESR1 (0.42) | ESR1ESR2HDAC6DRD2DRD3 | |
| SCHEMBL7283756 | 0.75 | HDAC1 (0.55) | HDAC1S1PR1 | |
| SCHEMBL8565997 | 0.74 | ESR1 (0.40) | ESR1ESR2HDAC6MAPT | |
| SCHEMBL7281726 | 0.74 | HDAC1 (0.54) | HDAC1S1PR1HDAC6KCNH2 | |
| Hydrochloric Acid SCHEMBL8561009 | 0.72 | HDAC1 (0.50) | HDAC1GRIN1GRIN2BS1PR1 | |
| SCHEMBL8567198 | 0.72 | ESR1 (0.43) | HDAC1ESR1ESR2HDAC6MAPT | |
| SCHEMBL8567193 | 0.72 | ESR1 (0.43) | HDAC1ESR1ESR2HDAC6MAPT |
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-5827849-A | HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT | KARL THOMAE GMBH (DE) | 1998-10-27 | — | — | US | disclosed |
| 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 |