Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29058735 | 0.84 | NPSR1 (0.44) | PARP1ALDH1A1TSHRPIM1CYP3A4 | |
| SCHEMBL28081191 | 0.78 | F7 (0.44) | TSHRPIM1CYP3A4SCN9A | |
| SCHEMBL29133996 | 0.77 | ALDH1A1 (0.44) | PARP1ALDH1A1TSHRPIM1CYP3A4 | |
| SCHEMBL7063113 | 0.76 | PARP1 (0.55) | PARP1ALDH1A1TSHRCYP3A4KDM4E | |
| SCHEMBL11804404 | 0.75 | ALDH1A1 (0.52) | PARP1ALDH1A1TSHRCYP3A4KDM4E | |
| Pyridine Dicarboxamide SCHEMBL29587789 | 0.74 | TSHR (0.59) | PARP1ALDH1A1TSHRPIM1CYP3A4 | |
| Pyridine Dicarboxamide SCHEMBL229425 | 0.74 | TSHR (0.59) | PARP1ALDH1A1TSHRPIM1CYP3A4 | |
| Pyridine Dicarboxamide SCHEMBL38659131 | 0.72 | TSHR (0.56) | PARP1ALDH1A1TSHRPIM1CYP3A4 | |
| Pyridine Dicarboxamide SCHEMBL29501171 | 0.72 | TSHR (0.56) | PARP1ALDH1A1TSHRPIM1CYP3A4 | |
| Pyridine Dicarboxamide SCHEMBL29031925 | 0.72 | TSHR (0.56) | PARP1ALDH1A1TSHRPIM1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113272294-A | 2, 6-bis (((1H-benzo [ D ] imidazol-2-yl) thio) methyl) pyridine and N2, N6-dibenzylpyridine-2, 6-dicarboxamide derivatives and related compounds as phosphoinositide 3-kinase (PI3K) inhibitors for the treatment of cancer | 雅典学院生物医学研究基金会 | 2021-08-17 | — | — | CN | disclosed |