Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8563445 | 0.99 | S1PR1 (0.49) | S1PR1RXRARXRBRXRGESR1 | |
| SCHEMBL8559326 | 0.97 | S1PR1 (0.47) | S1PR1RXRARXRBRXRGESR1 | |
| Hydrochloric Acid SCHEMBL8565148 | 0.89 | S1PR1 (0.47) | S1PR1RXRARXRBRXRGESR1 | |
| Hydrochloric Acid SCHEMBL8559599 | 0.88 | S1PR1 (0.43) | S1PR1RXRARXRBRXRGESR1 | |
| SCHEMBL8559518 | 0.87 | HRH3 (0.41) | S1PR1HDAC1HRH3TMEM97SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8569079 | 0.87 | S1PR1 (0.53) | S1PR1RXRARXRBRXRGESR1 | |
| SCHEMBL8562408 | 0.87 | S1PR1 (0.44) | S1PR1RXRARXRBRXRGESR1 | |
| Hydrochloric Acid SCHEMBL8564996 | 0.86 | HRH3 (0.40) | S1PR1HDAC1HRH3TMEM97SIGMAR1 | |
| SCHEMBL8560515 | 0.85 | CYP4F2 (0.45) | S1PR1HRH3TMEM97SIGMAR1DRD2 | |
| SCHEMBL8565812 | 0.85 | NOTUM (0.39) | S1PR1ESR1TMEM97SIGMAR1ALDH1A1 |
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 8 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 | claimed |
| 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 | claimed |
| EP-0612741-A1 | Cyclic derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1994-08-31 | — | — | EP | claimed |
| 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 |