Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | CCKBR | P32239 | 13/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL7817889 | 1.00 | KCNH2 (0.54) | KCNH2CCKBRALDH1A1TP53RIPK1 | |
| SCHEMBL7817883 | 1.00 | KCNH2 (0.54) | KCNH2CCKBRALDH1A1TP53RIPK1 | |
| SCHEMBL7818407 | 1.00 | KCNH2 (0.54) | KCNH2CCKBRALDH1A1TP53RIPK1 | |
| SCHEMBL7818414 | 1.00 | KCNH2 (0.54) | KCNH2CCKBRALDH1A1TP53RIPK1 | |
| SCHEMBL8800141 | 0.87 | KCNH2 (0.45) | KCNH2CCKBRALDH1A1TP53OPRM1 | |
| SCHEMBL8800140 | 0.87 | KCNH2 (0.45) | KCNH2CCKBRALDH1A1TP53OPRM1 | |
| SCHEMBL8800135 | 0.87 | KCNH2 (0.45) | KCNH2CCKBRALDH1A1TP53OPRM1 | |
| SCHEMBL9286467 | 0.87 | KCNH2 (0.45) | KCNH2CCKBRALDH1A1TP53OPRM1 | |
| SCHEMBL9286453 | 0.87 | KCNH2 (0.45) | KCNH2CCKBRALDH1A1TP53OPRM1 | |
| SCHEMBL7089746 | 0.80 | KCNH2 (0.54) | KCNH2CCKBRALDH1A1TP53PSEN1 |
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 2 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 |