Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 3/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GALR2 | O43603 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914759 | 0.80 | ADRA1D (0.56) | ADRA1DADRA1AADRA1BOPRM1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8912532 | 0.79 | ADRA1D (0.55) | ADRA1DADRA1AADRA1BOPRM1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8913902 | 0.77 | ADRA1D (0.60) | ADRA1DADRA1AADRA1BOPRM1SIGMAR1 | |
| SCHEMBL8917703 | 0.70 | ADRA1D (0.47) | ADRA1DADRA1AADRA1BOPRM1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL8913094 | 0.70 | ADRA1D (0.42) | ADRA1DADRA1AADRA1BOPRM1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9451724 | 0.69 | GALR2 (0.34) | ALDH1A1GALR2MAPTHPGDMPI | |
| Hydrochloric Acid SCHEMBL8563648 | 0.67 | ADRA1D (0.98) | ADRA1DADRA1AADRA1BOPRM1SIGMAR1 | |
| SCHEMBL8912590 | 0.66 | ADRA1D (0.53) | ADRA1DADRA1AADRA1BOPRM1SIGMAR1 | |
| SCHEMBL29922137 | 0.66 | THRB (0.61) | ADRA1DADRA1AADRA1BHSD17B10THRB | |
| SCHEMBL16026529 | 0.66 | THRB (0.61) | ADRA1DADRA1AADRA1BHSD17B10THRB |
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 |