Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.41 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.41 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3263382 | 0.72 | ALDH1A1 (0.53) | GSK3BPTPRCALDH1A1KDM4ETDP1 | |
| SCHEMBL29883244 | 0.72 | CYP2A6 (0.67) | PTPRCALDH1A1KDM4EDCUN1D1APOBEC3G | |
| SCHEMBL29802156 | 0.72 | CYP2A6 (0.67) | PTPRCALDH1A1KDM4EDCUN1D1APOBEC3G | |
| SCHEMBL671133 | 0.72 | CYP2A6 (0.67) | PTPRCALDH1A1KDM4EDCUN1D1APOBEC3G | |
| Ammonia Solution, Strong SCHEMBL735046 | 0.69 | CYP2A6 (0.63) | PTPRCALDH1A1KDM4EDCUN1D1APOBEC3G | |
| Hydrogen Sulfide SCHEMBL8574751 | 0.69 | CYP2A6 (0.63) | PTPRCALDH1A1KDM4EDCUN1D1APOBEC3G | |
| Hydrogen Sulfide SCHEMBL9195473 | 0.69 | CYP2A6 (0.63) | PTPRCALDH1A1KDM4EDCUN1D1APOBEC3G | |
| SCHEMBL3261864 | 0.69 | KDM4E (0.46) | GSK3BALDH1A1KDM4ETDP1NOTUM | |
| SCHEMBL27983962 | 0.69 | DYRK1A (0.46) | PTPRCALDH1A1DAOGUSBCCNE2 | |
| SCHEMBL11308251 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010015656-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |
| EP-2151434-A1 | Alkoxypyrazoles and the process for their preparation | Institut Pasteur (FR) | 2010-02-10 | — | — | EP | disclosed |