Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | POLB | P06746 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | GLA | P06280 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.68 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.68 |
| ▸ | APEX1 | P27695 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | DNMT1 | P26358 | 6/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9625567 | 0.90 | ALDH1A1 (0.71) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL30587607 | 0.84 | ALDH1A1 (0.68) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL10492337 | 0.84 | ALDH1A1 (0.68) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL29783279 | 0.84 | POLB (0.68) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL5828001 | 0.84 | ALDH1A1 (0.68) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL31710840 | 0.84 | ALDH1A1 (0.82) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL4604590 | 0.84 | ALDH1A1 (0.68) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL5828004 | 0.84 | ALDH1A1 (0.68) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL9741723 | 0.84 | ALDH1A1 (0.82) | ALDH1A1POLBKDM4ETP53GLA | |
| SCHEMBL133528 | 0.84 | POLB (0.68) | ALDH1A1POLBKDM4ETP53GLA |
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-4808713-A | Anthypertensive pyridazo [1,2-a][1,2]diazepines | HOFFMAN-LA ROCHE INC. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4772701-A | Pyridazo[1,2]pyridazines and pyrazolo[1,2]pyridazines as antihypertensives | HOFFMANN-LA ROCHE INC. (US) | 1988-09-20 | — | — | US | disclosed |
| US-4658024-A | Pyrazolo [1,2-a][1,2]-diazepines useful as antihypertensives | HOFFMANN-LA ROCHE INC. (US) | 1987-04-14 | — | — | US | disclosed |
| US-4512924-A | HYPOTENSIVE AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-04-23 | — | — | US | disclosed |