Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PI4KA | P42356 | 1/20 | 0.45 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.45 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.45 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4046923 | 0.95 | PI4KA (0.51) | PI4KAPI4K2BPI4K2API4KBALDH1A1 | |
| SCHEMBL4052252 | 0.89 | KDM4C (0.41) | PI4KAPI4K2BPI4K2API4KBGSK3B | |
| SCHEMBL4053122 | 0.81 | GPR84 (0.47) | PI4KAPI4K2BPI4K2API4KBGPR84 | |
| SCHEMBL4046994 | 0.81 | ADORA1 (0.42) | GSK3BCDK1CCNB1GSK3ACCNA2 | |
| SCHEMBL4044144 | 0.78 | METAP2 (0.34) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL4042151 | 0.77 | AAK1 (0.40) | GPR84 | |
| SCHEMBL4047518 | 0.77 | METAP2 (0.33) | PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL7026169 | 0.75 | PARP1 (0.54) | GSK3BPARP1 | |
| SCHEMBL8326986 | 0.75 | NOS1 (0.54) | — | |
| SCHEMBL4047123 | 0.74 | METAP2 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009029592-A1 | HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| EP-0434038-A1 | Fused imidazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-06-26 | — | — | EP | disclosed |
| EP-0426021-A1 | Condensed imidazole derivatives and processes for preparation thereof | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-08 | — | — | EP | disclosed |