Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.80 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | PRNP | P04156 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 2/20 | 0.42 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | BRD2 | P25440 | 1/20 | 0.41 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSPA1A | P0DMV8 | 1/20 | 0.39 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.39 |
| ▸ | CPB1 | P15086 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452302 | 1.00 | KCNQ2 (0.80) | KCNQ2CA1CA2ACHEPRNP | |
| SCHEMBL18798149 | 1.00 | KCNQ2 (0.80) | KCNQ2CA1CA2ACHEPRNP | |
| SCHEMBL30011957 | 1.00 | KCNQ2 (0.80) | KCNQ2CA1CA2ACHEPRNP | |
| SCHEMBL23711055 | 0.89 | KCNQ2 (1.00) | KCNQ2CA1CA2ACHEPRNP | |
| SCHEMBL21172790 | 0.87 | KCNQ2 (0.62) | KCNQ2NAAABRD4BRD2BRD3 | |
| SCHEMBL21173172 | 0.87 | KCNQ2 (0.62) | KCNQ2NAAABRD4BRD2BRD3 | |
| SCHEMBL17452364 | 0.87 | KCNQ2 (0.73) | KCNQ2CA1CA2ACHEPRNP | |
| SCHEMBL17452287 | 0.86 | KCNQ2 (0.61) | KCNQ2NAAAATMALDH1A1 | |
| SCHEMBL16061486 | 0.86 | KCNQ2 (0.61) | KCNQ2NAAAALDH1A1 | |
| SCHEMBL18798155 | 0.86 | KCNQ2 (0.61) | KCNQ2NAAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3511323-B1 | 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2022-03-02 | — | — | EP | disclosed |
| EP-3511323-A1 | 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS | GlaxoSmithKline Intellectual Property (No.2) Limited (GB) | 2019-07-17 | — | — | EP | disclosed |