Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11322419 | 0.88 | DRD1 (0.47) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| SCHEMBL11324634 | 0.87 | DRD1 (0.44) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| SCHEMBL11330389 | 0.82 | DRD1 (0.56) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| SCHEMBL12005458 | 0.81 | SLC6A4 (0.46) | CHRNB4CHRNA3SLC6A4CHRM3CHRNB1 | |
| SCHEMBL11332648 | 0.81 | DRD1 (0.54) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| SCHEMBL659411 | 0.80 | ADRA2A (0.52) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| SCHEMBL4127495 | 0.80 | ADRA2A (0.52) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| SCHEMBL11329389 | 0.79 | DRD1 (0.55) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| Hydrochloric Acid SCHEMBL11325289 | 0.79 | ADRA2A (0.51) | CYP1A2CYP2D6DRD1HRH2HTR2A | |
| SCHEMBL11324628 | 0.78 | DRD1 (0.65) | CYP1A2CYP2D6DRD1HRH2HTR2A |
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-RE30812-E | ANTIARRHTHMIA AGENTS | MEAD JOHNSON & COMPANY (US) | 1981-12-01 | — | — | US | disclosed |
| US-RE30811-E | SEROTONIN ANTAGONISTS, ANTIARRHYTHMIA AGENTS | MEAD JOHNSON & COMPANY (US) | 1981-12-01 | — | — | US | disclosed |
| US-4064254-A | ANTIARRHYTHMIC AND ANTISEROTONINE AGENTS | MEAD JOHNSON & COMPANY (US) | 1977-12-20 | — | — | US | disclosed |
| US-4000143-A | ANTIARRHYTHMIC AND ANTISEROTONIN AGENTS | MEAD JOHNSON & COMPANY (US) | 1976-12-28 | — | — | US | disclosed |
| US-3931195-A | ANTIARRHYTHMIA, ANTISEROTONIN | MEAD JOHNSON & COMPANY (US) | 1976-01-06 | — | — | US | disclosed |