Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.60 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 2/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.51 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.50 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18615848 | 0.83 | MKNK1 (0.61) | IKBKBPIK3CBPARP1MAP4K4MKNK2 | |
| SCHEMBL17610489 | 0.82 | IKBKB (0.56) | IKBKBPARP1MAP4K4MKNK2CSNK1G2 | |
| SCHEMBL14917448 | 0.82 | IKBKB (0.56) | IKBKBPARP1MAP4K4MKNK2CSNK1G2 | |
| SCHEMBL18615835 | 0.81 | CHEK2 (0.64) | IKBKBPIK3CBPARP1MAP4K4MKNK2 | |
| SCHEMBL995473 | 0.81 | PARP1 (0.54) | IKBKBPARP1MAP4K4MKNK2CSNK1G2 | |
| SCHEMBL31127659 | 0.81 | PARP1 (0.54) | IKBKBPARP1MAP4K4MKNK2CSNK1G2 | |
| SCHEMBL17610492 | 0.79 | IKBKB (0.49) | IKBKBPARP1MAP4K4MKNK2CSNK1G2 | |
| SCHEMBL26613435 | 0.79 | CA12 (0.60) | PARP1MAP4K4MKNK2CSNK1G2CLK4 | |
| SCHEMBL4686366 | 0.79 | IKBKB (0.67) | IKBKBPARP1MAP4K4MKNK2CSNK1G2 | |
| SCHEMBL31032045 | 0.77 | PARP1 (0.50) | IKBKBPARP1MAP4K4MKNK2CSNK1G2 |
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-3344613-B1 | HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS | DONG A SOCIO HOLDINGS CO LTD (KR) | 2020-03-04 | — | — | EP | disclosed |
| WO-2017039331-A1 | HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS | DONG-A SOCIO HOLDINGS CO., LTD. (KR) | 2017-03-09 | — | — | WO | disclosed |