Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 10/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 9/20 | 0.55 |
| ▸ | HRH2 | P25021 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.55 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7349951 | 0.84 | HRH4 (0.56) | HRH1HRH4HRH2HRH3KDM4E | |
| SCHEMBL7357907 | 0.84 | HRH1 (0.41) | HRH1HRH4HRH2HRH3KDM4E | |
| SCHEMBL8008902 | 0.82 | HRH1 (0.47) | HRH1HRH4HRH2HRH3HTR1A | |
| SCHEMBL7353364 | 0.82 | DRD4 (0.44) | HRH1HRH4HRH2HRH3HTR1A | |
| SCHEMBL7350762 | 0.80 | HRH4 (0.52) | HRH1HRH4HRH2HRH3KDM4E | |
| SCHEMBL13200326 | 0.73 | DYRK1A (0.50) | HRH1HRH4HRH2HRH3KDM4E | |
| SCHEMBL7353152 | 0.72 | HRH1 (0.42) | HRH1HRH4HRH2HRH3SETD7 | |
| SCHEMBL8009147 | 0.71 | DRD4 (0.58) | HTR1ADRD2HTR2AHTR2CADRA1A | |
| SCHEMBL4877466 | 0.71 | HRH4 (1.00) | HRH1HRH4HRH2HRH3 | |
| SCHEMBL7356862 | 0.70 | BCHE (0.46) | KDM4EALDH1A1LMNAHPGDTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5880121-A | SEROTONIN 5HT3 ANTAGONIST, USEFUL FOR TREATING ANXIETY, PHYCHIATRIC DISORDERS, NAUSEA, VOMITING AND DRUG DEPENDENCY | HOECHST MARION ROUSSEL INC. (US) | 1999-03-09 | — | — | US | claimed |
| US-5880121-A | SEROTONIN 5HT3 ANTAGONIST, USEFUL FOR TREATING ANXIETY, PHYCHIATRIC DISORDERS, NAUSEA, VOMITING AND DRUG DEPENDENCY | HOECHST MARION ROUSSEL INC. (US) | 1999-03-09 | — | — | US | disclosed |