Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | PAM | P19021 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.32 |
| ▸ | PRF1 | P14222 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29452875 | 1.00 | CYP2A6 (0.47) | CYP2A6PAMPDE5APTGDR2GPR17 | |
| SCHEMBL21187253 | 0.81 | CYP2A6 (0.54) | CYP2A6MEN1ALDH1A1MAPTMAPK1 | |
| SCHEMBL6811552 | 0.74 | CYP2A6 (0.74) | CYP2A6PTGDR2ALDH1A1PRF1 | |
| SCHEMBL30197394 | 0.74 | CYP2A6 (0.74) | CYP2A6PTGDR2ALDH1A1PRF1 | |
| SCHEMBL2819310 | 0.72 | PAM (0.43) | PAMPDE5APTGDR2MAOBALDH1A1 | |
| SCHEMBL2819313 | 0.72 | PAM (0.43) | PAMPDE5APTGDR2MAOBALDH1A1 | |
| SCHEMBL6811378 | 0.70 | CYP2A6 (0.50) | CYP2A6ALDH1A1MAPTHDAC10HDAC11 | |
| SCHEMBL6811377 | 0.70 | CYP2A6 (0.50) | CYP2A6ALDH1A1MAPTHDAC10HDAC11 | |
| SCHEMBL498796 | 0.69 | TBXAS1 (0.47) | CYP2A6MEN1ALDH1A1KMT2AHDAC10 | |
| SCHEMBL25203677 | 0.67 | PAM (0.68) | PAMMAOBMEN1ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108250058-B | PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases | 上海怡立舍生物技术有限公司 | 2022-02-11 | — | — | CN | disclosed |
| 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 |
| 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 |
| CN-108250058-A | PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases | 上海怡立舍生物技术有限公司 | 2018-07-06 | — | — | CN | disclosed |