Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.40 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL523614 | 0.84 | NPSR1 (0.54) | KDM4ETP53NPSR1CXCR4CYP3A4 | |
| SCHEMBL24142565 | 0.83 | CYP3A4 (0.40) | NPSR1CD274MBOAT4CXCR4CYP3A4 | |
| SCHEMBL5046126 | 0.80 | HRH3 (0.52) | MBOAT4ALDH1A1MAPTGAAHPGD | |
| SCHEMBL24254425 | 0.79 | CYP3A4 (0.38) | KDM4ENPSR1MBOAT4CXCR4CYP3A4 | |
| SCHEMBL29791992 | 0.77 | SMN1; SMN2 (0.53) | NPSR1MBOAT4CXCR4CYP3A4SMN1; SMN2 | |
| SCHEMBL2476858 | 0.77 | SMN1; SMN2 (0.53) | NPSR1MBOAT4CXCR4CYP3A4SMN1; SMN2 | |
| SCHEMBL7333040 | 0.77 | CXCR4 (0.52) | KDM4ETP53NPSR1CXCR4CYP3A4 | |
| SCHEMBL17813438 | 0.76 | MALT1 (0.42) | KDM4ENPSR1PDCD1CD274CYP3A4 | |
| SCHEMBL17117536 | 0.76 | NPSR1 (0.77) | KDM4ENPSR1CYP3A4ALDH1A1MAPT | |
| SCHEMBL943445 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109320505-B | Preparation and application of halogenated butenolide compound with insecticidal activity | 海利尔药业集团股份有限公司 | 2022-08-02 | — | — | CN | disclosed |
| EP-2661428-B1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |
| WO-2004024728-A2 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-03-25 | — | — | WO | disclosed |