Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | HTR2A | P28223 | 3/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.55 |
| ▸ | HTR2C | P28335 | 2/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18144845 | 0.83 | HDAC6 (0.55) | EPHX2CYP2C9HTR2ADRD2HTR2C | |
| SCHEMBL8567882 | 0.83 | HDAC3 (0.68) | SMN1; SMN2ALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL8569459 | 0.81 | EPHX2 (0.56) | EPHX2CYP2C9EPHX1HDAC3HDAC4 | |
| SCHEMBL31235916 | 0.80 | HRH3 (0.66) | EPHX2CYP2C9HTR2ADRD2HTR2C | |
| SCHEMBL13005005 | 0.79 | HTR2A (0.63) | HTR2ADRD2HTR2CKCNH2CYP2D6 | |
| SCHEMBL18148283 | 0.78 | POLB (0.52) | EPHX2CYP2C9HTR2ADRD2HTR2C | |
| SCHEMBL13068758 | 0.77 | HTR2A (0.57) | HTR2ADRD2HTR2CKCNH2CYP2D6 | |
| SCHEMBL18148291 | 0.77 | HDAC6 (0.52) | EPHX2CYP2C9EPHX1SMN1; SMN2USP2 | |
| SCHEMBL12695216 | 0.75 | EPHX2 (0.73) | EPHX2CYP2C9HTR2ADRD2EPHX1 | |
| SCHEMBL11268127 | 0.74 | EPHX2 (0.61) | EPHX2EPHX1ALDH1A1HDAC3HDAC4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| 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 |