Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2 | P11137 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | FABP3 | P05413 | 2/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28391800 | 0.81 | CYP1A2 (0.46) | MAP2CYP2A6CYP1A2DYRK1AESR1 | |
| SCHEMBL13016368 | 0.79 | ENPP1 (0.36) | CYP2A6CYP1A2ESR1ESR2CYP3A4 | |
| SCHEMBL29367682 | 0.77 | CYP1A2 (0.42) | MAP2CYP2A6CYP1A2DYRK1AESR1 | |
| SCHEMBL1758344 | 0.77 | CYP1A2 (0.42) | MAP2CYP2A6CYP1A2DYRK1AESR1 | |
| SCHEMBL13016375 | 0.76 | ESR1 (0.45) | ESR1ESR2ACHEKDM4EMAPT | |
| SCHEMBL22717148 | 0.76 | ESR1 (0.48) | ESR1ESR2ACHEKDM4EMAPT | |
| SCHEMBL10431739 | 0.73 | CYP1A2 (0.58) | CYP2A6CYP1A2DYRK1AGABRPGABRD | |
| SCHEMBL17614919 | 0.73 | ESR1 (0.36) | CYP1A2ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL23639132 | 0.72 | ALDH1A1 (0.43) | CYP2A6CYP1A2CYP3A4KDM4EMAPT | |
| SCHEMBL23639144 | 0.71 | DPP4 (0.43) | MAP2DYRK1AESR1ESR2KDM4E |
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-2021139452-A1 | ORGANIC ELECTRONIC MATERIAL CONTAINING NITROGEN ATOM HETEROCYCLIC RING, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海传勤新材料有限公司 | 2021-07-15 | — | — | WO | disclosed |