Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | PCSK9 | Q8NBP7 | 3/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 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 | |
|---|---|---|---|---|
| SCHEMBL7317763 | 0.84 | TP53 (0.41) | SCN9ATP53CDK2PCSK9NR1D1 | |
| SCHEMBL13888165 | 0.74 | CDK2 (0.44) | TP53CDK2PCSK9NR1D1CA2 | |
| SCHEMBL9796410 | 0.71 | TRPA1 (0.36) | SCN9ATP53CDK2ALDH1A1PRKCA | |
| SCHEMBL7318523 | 0.69 | NTRK1 (0.41) | CDK2BRD4LMNAKMT2A | |
| SCHEMBL7321942 | 0.69 | ATM (0.44) | SCN9ATP53CDK2ALDH1A1PRKCA | |
| SCHEMBL11063637 | 0.69 | SCN9A (0.41) | SCN9ABRD4LMNAMAPTIMPDH2 | |
| SCHEMBL11060060 | 0.69 | TRIM24 (0.34) | SCN9ATP53CA2ALDH1A1BRD4 | |
| SCHEMBL24144470 | 0.68 | CDK2 (0.45) | TP53CDK2NR1D1LMNAMAPT | |
| SCHEMBL1272586 | 0.68 | GPR84 (0.62) | PCSK9CA2ALDH1A1GLALMNA | |
| SCHEMBL14564407 | 0.68 | MAPT (0.50) | CDK2ALDH1A1LMNAMAPTHTT |
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-4447435-A | HYPOTENSIVE AGENTS | THE BOOTS COMPANY PLC (GB) | 1984-05-08 | — | — | US | disclosed |
| US-4442109-A | 3-Methylthiomethyl-and 3-methylsulfinylmethyl-4-quinolinones useful for treating hypertension | THE BOOTS COMPANY LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |