Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5374152 | 0.80 | KDM4E (0.39) | ALDH1A1POLBKMT2AMAPK1EGFR | |
| SCHEMBL3839080 | 0.79 | — | — | |
| SCHEMBL28720326 | 0.71 | HRH4 (0.42) | CYP1A2CYP3A4ALDH1A1POLBKMT2A | |
| SCHEMBL5367529 | 0.70 | — | — | |
| SCHEMBL1461161 | 0.68 | HSD11B1 (0.41) | CYP1A2CYP3A4ALDH1A1POLBKMT2A | |
| SCHEMBL9165206 | 0.68 | NPSR1 (0.51) | CYP1A2ALDH1A1POLBMAPK1CYP2C19 | |
| SCHEMBL9160736 | 0.68 | MEN1 (0.48) | CYP1A2ALDH1A1KMT2AHRH4TLR8 | |
| SCHEMBL27563070 | 0.67 | PLAU (0.44) | CYP1A2UTS2RALDH1A1KDM4ENPC1 | |
| SCHEMBL28717118 | 0.67 | HRH4 (0.41) | CYP1A2CYP3A4ALDH1A1POLBKMT2A | |
| SCHEMBL28717161 | 0.66 | HRH4 (0.42) | CYP1A2CYP3A4ALDH1A1HRH4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5389660-A | Hypotensive agents | MERCK & CO., INC. (US) | 1995-02-14 | — | — | US | disclosed |
| US-5164407-A | Hypotensive agents | MERCK & CO., INC. (US) | 1992-11-17 | — | — | US | disclosed |
| EP-0407102-A1 | Substituted imidazo-fused 5-membered ring heterocycles as angiotensin II antagonists | MERCK & CO. INC. (US) | 1991-01-09 | — | — | EP | disclosed |