Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8915898 | 0.80 | ALDH1A1 (0.43) | SLC6A3ADRA1AHRH1ADRA1BHRH3 | |
| SCHEMBL3551208 | 0.76 | SLC6A3 (0.43) | SLC6A3DRD2SLC6A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL11760698 | 0.74 | HRH3 (0.46) | SPHK2HRH3SIGMAR1 | |
| SCHEMBL11760720 | 0.74 | HRH3 (0.46) | SPHK2HRH3SIGMAR1 | |
| SCHEMBL11769008 | 0.74 | HRH3 (0.46) | SPHK2HRH3SIGMAR1 | |
| SCHEMBL11768994 | 0.74 | HRH3 (0.46) | SPHK2HRH3SIGMAR1 | |
| SCHEMBL11760710 | 0.74 | HRH3 (0.46) | SPHK2HRH3SIGMAR1 | |
| SCHEMBL22623871 | 0.71 | SLC6A3 (0.48) | SLC6A3DRD2SLC6A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL15759288 | 0.71 | SLC6A3 (0.48) | SLC6A3DRD2SLC6A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL27341773 | 0.70 | TDP1 (0.44) | — |
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 |