Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 7/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 6/20 | 0.38 |
| ▸ | HTR2B | P41595 | 4/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR1E | P28566 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9688933 | 0.88 | ADRB2 (0.47) | ADRB2HTR1AHTR2AHTR7HTR2C | |
| SCHEMBL9688843 | 0.84 | HTR1A (0.41) | ADRB2HTR1AHTR2AHTR7HTR2C | |
| SCHEMBL10409092 | 0.81 | HTR1A (0.41) | HTR1AHTR2AHTR7HTR2CHTR2B | |
| SCHEMBL9687954 | 0.80 | HTR6 (0.43) | HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL9687970 | 0.80 | HTR1A (0.38) | HTR1AHTR2AHTR7HTR2CHTR2B | |
| SCHEMBL2266881 | 0.75 | KDM4E (0.49) | ADRB2KDM4ECYP1A2PARP1CYP2D6 | |
| SCHEMBL9689133 | 0.75 | HTR1A (0.46) | HTR1AHTR2AHTR7HTR2CHTR2B | |
| SCHEMBL9687943 | 0.74 | HTR6 (0.46) | HTR1AHTR2AHTR6 | |
| SCHEMBL9688833 | 0.72 | HTR1A (0.41) | ADRB2HTR1AHTR2AHTR7HTR2C | |
| SCHEMBL9688894 | 0.71 | HTR1A (0.44) | HTR1AHTR2AHTR7HTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0189473-B1 | NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-05-27 | — | — | EP | disclosed |
| US-4958026-A | HYPOTENSIVE AGENTS | SCHERING AKTIENGESLLSCHAFT (DE) | 1990-09-18 | — | — | US | disclosed |