Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.51 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 6/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8571592 | 0.95 | EPHX2 (0.51) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| SCHEMBL8570730 | 0.93 | EPHX2 (0.45) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| SCHEMBL8565862 | 0.89 | DRD2 (0.48) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| SCHEMBL8569179 | 0.86 | KCNH2 (0.52) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| SCHEMBL8601364 | 0.85 | HTR2A (0.40) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| Hydrochloric Acid SCHEMBL8913619 | 0.84 | DRD2 (0.52) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| SCHEMBL8570143 | 0.84 | CA1 (0.45) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| Hydrochloric Acid SCHEMBL8570973 | 0.81 | DRD2 (0.48) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| Hydrochloric Acid SCHEMBL8571057 | 0.81 | CA1 (0.48) | HTR2ADRD2EPHX2EPHX1SCN5A | |
| SCHEMBL8567008 | 0.80 | ADRA1D (0.55) | HTR2ADRD2EPHX2EPHX1SCN5A |
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 |