Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.31 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7281438 | 0.78 | AOC2 (0.32) | CYP19A1SRD5A1KDM4E | |
| SCHEMBL7286911 | 0.74 | AOC2 (0.34) | GHSRSRD5A1KDM4EALDH1A1MAOB | |
| SCHEMBL16040115 | 0.74 | KDM4E (0.33) | GHSRSRD5A1KDM4E | |
| SCHEMBL22648261 | 0.71 | AOC2 (0.35) | MAOB | |
| SCHEMBL31642338 | 0.70 | NPC1 (0.42) | SRD5A2KDM4EALDH1A1 | |
| SCHEMBL13075652 | 0.70 | ATM (0.40) | SRD5A1SRD5A2KDM4EALDH1A1NPSR1 | |
| SCHEMBL23754685 | 0.70 | AOC2 (0.35) | KDM4EALDH1A1MAOB | |
| SCHEMBL7437496 | 0.67 | FAAH (0.35) | SIGMAR1CYP19A1DRD2DRD3ALDH1A1 | |
| SCHEMBL13672227 | 0.67 | AOC2 (0.30) | — | |
| SCHEMBL7287440 | 0.66 | CYP3A4 (0.35) | SRD5A2ALDH1A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-5006511-A | Treating hypertension, congestive heart failure | MERCK & CO., INC. (US) | 1991-04-09 | — | — | US | disclosed |
| EP-0312283-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | disclosed |