Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187235 | 0.86 | CXCR4 (0.39) | HTR2APDE4AMAPK1PDE4DTNF | |
| SCHEMBL28225986 | 0.86 | CXCR4 (0.39) | HTR2APDE4AMAPK1PDE4DTNF | |
| SCHEMBL29452904 | 0.86 | CXCR4 (0.39) | HTR2APDE4AMAPK1PDE4DTNF | |
| SCHEMBL28225984 | 0.86 | CXCR4 (0.39) | HTR2APDE4AMAPK1PDE4DTNF | |
| SCHEMBL28226022 | 0.79 | HRH3 (0.40) | HTR2A | |
| SCHEMBL28226023 | 0.79 | HRH3 (0.40) | HTR2A | |
| SCHEMBL13427805 | 0.74 | MEN1 (0.42) | MEN1KMT2A | |
| SCHEMBL21187254 | 0.74 | SIGMAR1 (0.33) | HTR2A | |
| SCHEMBL21176956 | 0.72 | POLB (0.55) | KMT2A | |
| SCHEMBL28225275 | 0.71 | CYP2D6 (0.36) | HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141229-A1 | COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF | 上海怡立舍生物技术有限公司 | 2019-07-25 | — | — | WO | disclosed |