Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28231414 | 0.79 | CYP3A4 (0.44) | ALDH1A1GAA | |
| SCHEMBL8053821 | 0.78 | RAPGEF4 (0.38) | RAPGEF4SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL5163137 | 0.77 | RAPGEF4 (0.41) | RAPGEF4SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL27927634 | 0.77 | RAPGEF4 (0.41) | RAPGEF4SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL10832009 | 0.76 | LMNA (0.31) | RAPGEF4LMNA | |
| SCHEMBL28231322 | 0.75 | ALDH1A1 (0.43) | ALDH1A1GAATSHR | |
| SCHEMBL18243433 | 0.74 | RAPGEF4 (0.35) | RAPGEF4SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL8732505 | 0.74 | NR3C1 (0.36) | RAPGEF4SLC6A2SLC6A4SLC6A3TSHR | |
| SCHEMBL2848311 | 0.73 | RAPGEF4 (0.43) | RAPGEF4SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL23122285 | 0.72 | RAPGEF4 (0.38) | RAPGEF4SLC6A2SLC6A4SLC6A3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0454270-B1 | Catalyst compositions | SHELL INT RESEARCH (NL) | 1993-12-15 | — | — | EP | claimed |
| CN-108503579-B | Fentanyl analogs and uses thereof | 南京医科大学 | 2021-03-26 | — | — | CN | disclosed |
| CN-108503579-A | Fentanyl analog and its application | 南京医科大学 | 2018-09-07 | — | — | CN | disclosed |
| CN-101671240-B | Method for preparing 2,2-dimethyl-3-hydrocinnnamic aldehyde and derivative thereof | SHANGHAI INST TECHNOLOGY | 2013-06-19 | — | — | CN | disclosed |