Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.53 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.51 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.51 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
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 SCHEMBL11719888 | 0.98 | CYP2D6 (0.55) | CYP2D6ADRB1ADRB2ADRB3CACNA1F | |
| SCHEMBL12205817 | 0.81 | HRH1 (0.52) | CYP2D6ADRB1ADRB2ADRB3CACNA1F | |
| SCHEMBL3672484 | 0.79 | KDM4E (0.61) | CYP2D6ADRB1ADRB2ADRA1AOPRK1 | |
| SCHEMBL421051 | 0.79 | KDM4E (0.61) | CYP2D6ADRB1ADRB2ADRA1AOPRK1 | |
| SCHEMBL421063 | 0.79 | KDM4E (0.61) | CYP2D6ADRB1ADRB2ADRA1AOPRK1 | |
| Hydrochloric Acid SCHEMBL11710386 | 0.78 | TAAR1 (0.55) | CYP2D6HRH1SLC6A3KCNH2LMNA | |
| Drobuline SCHEMBL120552 | 0.76 | ADRB2 (0.56) | CYP2D6ADRB1ADRB2ADRB3HIF1A | |
| Drobuline SCHEMBL11708442 | 0.75 | ADRB2 (0.54) | CYP2D6ADRB1ADRB2ADRB3LMNA | |
| Hydrochloric Acid SCHEMBL11716456 | 0.75 | LMNA (0.46) | ADRB1ADRB2ADRB3CACNA1FCHRM2 | |
| SCHEMBL13900797 | 0.73 | TAAR1 (0.59) | CYP2D6ADRB1ADRB2ADRB3CACNA1F |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4001328-A | ANTIARRHYTHMIA AGENTS, 4,4-DIPHENYL-2-HYDROXY-BUTYLAMINES | ELI LILLY AND COMPANY (US) | 1977-01-04 | — | — | US | claimed |