Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 12/20 | 0.47 |
| ▸ | HTR2A | P28223 | 10/20 | 0.47 |
| ▸ | HTR2C | P28335 | 10/20 | 0.47 |
| ▸ | HTR2B | P41595 | 10/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 10/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | PTAFR | P25105 | 1/20 | 0.37 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8913591 | 0.88 | GFER (0.41) | CASP6GFERCASP1CASP7HSD17B10 | |
| SCHEMBL9451756 | 0.81 | SIGMAR1 (0.71) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8914100 | 0.81 | HTR2A (0.49) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8913831 | 0.80 | HTR2A (0.42) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8778995 | 0.79 | SIGMAR1 (0.43) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL22770382 | 0.76 | ALDH1A1 (0.36) | SIGMAR1HTR2AHTR2CHTR2BCASP1 | |
| SCHEMBL6841622 | 0.75 | SIGMAR1 (0.62) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL29993019 | 0.72 | NR1H2 (0.53) | CRBNNR1H2 | |
| SCHEMBL22770482 | 0.72 | NR1H2 (0.53) | CRBNNR1H2 | |
| SCHEMBL2310027 | 0.71 | NR1H2 (0.57) | CASP6GFERCASP1CASP7HSD17B10 |
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 |