Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 4/20 | 0.56 |
| ▸ | GBA1 | P04062 | 11/20 | 0.48 |
| ▸ | KDR | P35968 | 5/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL544804 | 0.98 | SMPD1 (0.54) | SMPD1GBA1KDR | |
| SCHEMBL16263567 | 0.79 | SMPD1 (0.54) | SMPD1GBA1 | |
| SCHEMBL14289745 | 0.79 | SMPD1 (0.54) | SMPD1GBA1 | |
| SCHEMBL23071430 | 0.79 | SMPD1 (0.39) | SMPD1GBA1KDR | |
| SCHEMBL23071451 | 0.79 | SMPD1 (0.39) | SMPD1GBA1KDR | |
| SCHEMBL23071446 | 0.79 | SMPD1 (0.39) | SMPD1GBA1KDR | |
| SCHEMBL24754053 | 0.78 | SMPD1 (0.53) | SMPD1GBA1 | |
| SCHEMBL21555593 | 0.78 | GBA1 (0.58) | SMPD1GBA1 | |
| SCHEMBL21249256 | 0.78 | SMPD1 (0.56) | SMPD1GBA1 | |
| SCHEMBL21249259 | 0.78 | SMPD1 (0.56) | SMPD1GBA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5336778-A | Substituted triazoles as angiotensin II antagonists | MERCK & CO., INC. (US) | 1994-08-09 | — | — | US | disclosed |
| US-5177095-A | Hypotensive agents | MERCK & CO., INC. (US) | 1993-01-05 | — | — | US | disclosed |
| WO-1991011909-A1 | TRIAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | MERCK & CO., INC. (US) | 1991-08-22 | — | — | WO | disclosed |
| EP-0409332-A2 | Substituted triazoles as angiotensin II antagonists | MERCK & CO. INC. (US) | 1991-01-23 | — | — | EP | disclosed |