Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8566160 | 0.85 | ADRA1D (0.67) | ADRA1DKCNH2ADRA1A | |
| SCHEMBL8565854 | 0.85 | ADRA1D (0.67) | ADRA1DKCNH2ADRA1A | |
| SCHEMBL8565777 | 0.80 | KMT2A (0.42) | ADRA1DKCNH2KMT2AHTR2AADRA1A | |
| SCHEMBL8568640 | 0.80 | KMT2A (0.42) | ADRA1DKCNH2KMT2AHTR2AADRA1A | |
| SCHEMBL8567385 | 0.79 | HTR2A (0.58) | EPHX2EPHX1ADRA1DKCNH2HTR2A | |
| SCHEMBL8914017 | 0.78 | EPHX2 (0.63) | EPHX2EPHX1KMT2ACA1CA2 | |
| SCHEMBL8563656 | 0.77 | ADRA1D (0.42) | ADRA1DKMT2AHTR2AADRA1ASIGMAR1 | |
| SCHEMBL18730487 | 0.77 | SIGMAR1 (0.66) | EPHX2ADRA1DADRA1ASIGMAR1 | |
| SCHEMBL8564077 | 0.77 | ADRA1D (0.66) | ADRA1DKCNH2ADRA1A | |
| SCHEMBL8565545 | 0.77 | ADRA1D (0.66) | ADRA1DKCNH2ADRA1A |
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 6 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 | claimed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | claimed |
| 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 |