Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LDLR | P01130 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869234 | 0.73 | CCKBR (0.41) | ALDH1A1KMT2AMEN1SMN1; SMN2HTT | |
| SCHEMBL7817889 | 0.72 | KCNH2 (0.54) | KCNH2ALDH1A1TP53 | |
| SCHEMBL7817893 | 0.72 | KCNH2 (0.54) | KCNH2ALDH1A1TP53 | |
| SCHEMBL7818407 | 0.72 | KCNH2 (0.54) | KCNH2ALDH1A1TP53 | |
| SCHEMBL7818414 | 0.72 | KCNH2 (0.54) | KCNH2ALDH1A1TP53 | |
| SCHEMBL7817883 | 0.72 | KCNH2 (0.54) | KCNH2ALDH1A1TP53 | |
| SCHEMBL7089746 | 0.72 | KCNH2 (0.54) | KCNH2ALDH1A1TP53KCNQ3KCNQ2 | |
| SCHEMBL8716833 | 0.72 | KCNH2 (0.54) | KCNH2ALDH1A1TP53KCNQ3KCNQ2 | |
| SCHEMBL4069437 | 0.67 | EPHX2 (0.71) | ALDH1A1KMT2AMEN1TDP1SMN1; SMN2 | |
| SCHEMBL29086702 | 0.67 | EPHX2 (0.71) | ALDH1A1KMT2AMEN1TDP1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730454-A4 | ANTIARRHYTHMIC BENZODIAZEPINES | MERCK & CO INC (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-0730453-A4 | METHODS OF TREATING CARDIAC ARRHYTHMIA | MERCK & CO INC (US) | 1998-03-04 | — | — | EP | disclosed |
| EP-0730454-A1 | ANTIARRHYTHMIC BENZODIAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |
| EP-0730453-A1 | METHODS OF TREATING CARDIAC ARRHYTHMIA | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014470-A1 | METHODS OF TREATING CARDIAC ARRHYTHMIA | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |