Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23873752 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1 | |
| SCHEMBL21701141 | 0.79 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1 | |
| SCHEMBL21701180 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1 | |
| SCHEMBL16236025 | 0.69 | PTPN1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1 | |
| SCHEMBL1587773 | 0.69 | ALDH1A1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19CRHBP | |
| SCHEMBL16236434 | 0.66 | PTPN1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1 | |
| SCHEMBL17070911 | 0.64 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19PTPN1 | |
| SCHEMBL599878 | 0.62 | TAAR1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL19519886 | 0.62 | TAAR1 (0.48) | ALDH1A1TSHR | |
| SCHEMBL908216 | 0.61 | TAAR1 (0.50) | ALDH1A1TSHR |
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-2020033567-A1 | METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2020-02-13 | — | — | WO | disclosed |