Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL682821 | 0.82 | HDAC8 (0.45) | CXCR4 | |
| SCHEMBL2088808 | 0.82 | HDAC8 (0.45) | CXCR4 | |
| SCHEMBL682465 | 0.82 | HDAC8 (0.45) | CXCR4 | |
| SCHEMBL30595821 | 0.77 | TAAR1 (0.38) | PARP1MAOBMAOATAAR1IDO1 | |
| SCHEMBL21180314 | 0.77 | TAAR1 (0.38) | PARP1MAOBMAOATAAR1IDO1 | |
| SCHEMBL1177121 | 0.76 | MAOB (0.36) | PARP1PARP15PARP10MAOBMAOA | |
| SCHEMBL21187235 | 0.76 | CXCR4 (0.39) | CXCR4GPR84 | |
| SCHEMBL29452904 | 0.76 | CXCR4 (0.39) | CXCR4GPR84 | |
| SCHEMBL3878053 | 0.73 | GAA (0.41) | CXCR4 | |
| SCHEMBL18577318 | 0.73 | CMA1 (0.39) | CXCR4MAOB |
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 |