Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 4/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8913142 | 0.83 | ADRA1D (0.60) | ADRA1DADRA1AADRA1BSIGMAR1DRD2 | |
| SCHEMBL8912499 | 0.79 | ADRA1D (0.67) | ADRA1DADRA1AADRA1BSIGMAR1OPRM1 | |
| SCHEMBL9591672 | 0.77 | DRD2 (0.48) | ADRA1DADRA1AADRA1BSIGMAR1DRD2 | |
| SCHEMBL8913236 | 0.77 | SIGMAR1 (0.64) | ADRA1DADRA1AADRA1BSIGMAR1DRD2 | |
| SCHEMBL9592696 | 0.76 | DRD2 (0.43) | SIGMAR1DRD2HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL8913094 | 0.74 | ADRA1D (0.42) | ADRA1DADRA1AADRA1BSIGMAR1ALDH1A1 | |
| SCHEMBL6493156 | 0.74 | GRIN1 (0.49) | ALDH1A1 | |
| SCHEMBL6492791 | 0.74 | RAB9A (0.45) | ALDH1A1KDM4ERAB9A | |
| SCHEMBL8914235 | 0.74 | SIGMAR1 (0.69) | ADRA1DADRA1AADRA1BSIGMAR1DRD2 | |
| SCHEMBL1646553 | 0.74 | MAPT (0.59) | DRD2ALDH1A1KCNH2KCNJ1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |