Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 3/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8370926 | 0.81 | HSD11B1 (0.42) | NCF1KCNH2SCN5AAPPCYP1A2 | |
| Hydrochloric Acid SCHEMBL28522060 | 0.79 | HSD11B1 (0.41) | NCF1KCNH2SCN5AAPPCYP1A2 | |
| SCHEMBL6178948 | 0.78 | HSD11B1 (0.45) | NCF1KCNH2SCN5AAPPIRAK4 | |
| SCHEMBL23226823 | 0.78 | KCNH2 (0.40) | NCF1KCNH2SCN5AAPPIRAK4 | |
| SCHEMBL3298262 | 0.77 | PGK1 (0.50) | KCNH2IDH1PGK1PGK2IRAK4 | |
| SCHEMBL318096 | 0.77 | KCNH2 (0.57) | NCF1KCNH2SCN5AAPPCYP1A2 | |
| SCHEMBL31011097 | 0.76 | KCNA5 (0.51) | ALDH1A1HSD11B1 | |
| SCHEMBL31011105 | 0.73 | HPGD (0.44) | IRAK4ALDH1A1HSD11B1 | |
| SCHEMBL20487063 | 0.73 | KCNH2 (0.44) | NCF1KCNH2SCN5AAPPIRAK4 | |
| SCHEMBL14547682 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116635380-A | PPARgamma modulators and methods of use | 卫材R&D管理有限公司 | 2023-08-22 | — | — | CN | disclosed |
| WO-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |