Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CCKBR | P32239 | 3/20 | 0.47 |
| ▸ | CCKAR | P32238 | 1/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.47 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.47 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.47 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.47 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.47 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8837495 | 0.84 | KCNH2 (0.57) | KCNH2ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL7087129 | 0.80 | KCNH2 (1.00) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL7092063 | 0.80 | KCNH2 (0.65) | KCNH2ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL7090700 | 0.80 | KCNH2 (1.00) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL7089743 | 0.80 | KCNH2 (0.64) | KCNH2ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL7092185 | 0.78 | KCNH2 (0.44) | KCNH2ALDH1A1CCKBRCCKARPSEN1 | |
| SCHEMBL7817094 | 0.76 | KCNH2 (0.55) | KCNH2CCKBRCCKARHDAC3HDAC4 | |
| SCHEMBL8608852 | 0.75 | KCNH2 (0.89) | KCNH2CCKBRCCKARPSEN1PSEN2 | |
| SCHEMBL7808673 | 0.75 | SCN9A (0.52) | CCKBRCCKARNFKB1NFKB2RELA | |
| SCHEMBL8745310 | 0.74 | KCNH2 (0.73) | KCNH2CCKBRCCKARPSEN1PSEN2 |
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-0730581-B1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO INC (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5696111-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1997-12-09 | — | — | US | disclosed |
| EP-0730581-A4 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO INC (US) | 1997-02-05 | — | — | EP | disclosed |
| EP-0730581-A1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014671-A1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |