Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | NSD2 | O96028 | 2/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25087719 | 0.83 | HRH3 (0.68) | DPP4DPP9DPP7HRH3HRH4 | |
| SCHEMBL7321429 | 0.80 | HRH3 (0.50) | HRH3HRH4SLC6A4SLC6A2GRIN2B | |
| SCHEMBL785128 | 0.80 | GRIN2B (0.60) | HRH3HRH4NAAAGRIN2B | |
| SCHEMBL14136358 | 0.72 | DPP4 (0.43) | DPP4DPP9DPP7HRH3HRH4 | |
| SCHEMBL9451632 | 0.72 | KDM4E (0.57) | DPP4DPP9DPP7NSD2 | |
| SCHEMBL467367 | 0.71 | MCHR1 (0.47) | SLC6A4NAAAGRIN2BNOS3NOS1 | |
| SCHEMBL9457804 | 0.71 | MAOA (0.56) | HRH3CYP2A6GAA | |
| SCHEMBL14183554 | 0.71 | KCNJ1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL7339715 | 0.70 | MCHR1 (0.47) | SLC6A4NAAAGRIN2BNOS3NOS1 | |
| SCHEMBL156261 | 0.69 | CYP2A6 (0.58) | HRH3SLC6A4SLC6A2NSD2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995014469-A1 | NOVEL SPIROCYCLES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |
| US-5403846-A | Antiarrhythmic agents | MERCK & CO., INC. (US) | 1995-04-04 | — | — | US | disclosed |