Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PRKCA | P17252 | 8/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6548950 | 0.98 | CYP1A2 (0.50) | CYP1A2ALDH1A1PPARGPRKCAEPHX1 | |
| SCHEMBL10792575 | 0.86 | CYP1A2 (0.59) | CYP1A2ALDH1A1PPARGPRKCAEPHX1 | |
| SCHEMBL17074077 | 0.85 | CYP1A2 (0.59) | CYP1A2ALDH1A1PPARGPRKCAEPHX1 | |
| SCHEMBL23611195 | 0.83 | CYP1A2 (0.57) | CYP1A2ALDH1A1PPARGPRKCAEPHX1 | |
| SCHEMBL21081503 | 0.83 | CYP1A2 (0.37) | CYP1A2PPARGPRKCA | |
| SCHEMBL27309398 | 0.82 | CYP1A2 (0.56) | CYP1A2ALDH1A1PPARGPRKCAHPGD | |
| SCHEMBL5195296 | 0.81 | CYP1A2 (0.48) | CYP1A2ALDH1A1PPARGPRKCAEPHX1 | |
| SCHEMBL31634542 | 0.81 | CYP1A2 (0.50) | CYP1A2ALDH1A1PPARGPRKCAEPHX1 | |
| SCHEMBL6310548 | 0.81 | CYP1A2 (0.50) | CYP1A2ALDH1A1PPARGPRKCAEPHX1 | |
| SCHEMBL28111700 | 0.81 | CYP1A2 (0.54) | CYP1A2ALDH1A1PPARGPRKCAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110997750-B | Diester-based polymer electrolyte for high voltage lithium ion batteries | 罗伯特·博世有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-107207930-B | Catalytic transesterification of ester compounds having groups reactive under transesterification conditions | 赛鲁斯股份有限公司 | 2020-06-12 | — | — | CN | disclosed |
| CN-110997750-A | Diester-based polymer electrolyte for high voltage lithium ion batteries | 罗伯特·博世有限公司 | 2020-04-10 | — | — | CN | disclosed |