Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27708870 | 0.84 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| 1,3-Dimethoxybenzene SCHEMBL3728678 | 0.74 | ACHE (0.74) | ACHECA4ALDH1A1LMNATSHR | |
| SCHEMBL4428549 | 0.74 | TACR1 (0.48) | ACHECA4ALDH1A1TACR1CASR | |
| SCHEMBL4431450 | 0.73 | CASR (0.50) | ACHEALDH1A1CASRCYP3A4 | |
| Anisole SCHEMBL9794543 | 0.71 | CA4 (0.78) | ACHECA4ALDH1A1LMNATSHR | |
| Toluene SCHEMBL28367651 | 0.71 | ACHE (0.69) | ACHEALDH1A1LMNATSHRALOX12 | |
| SCHEMBL31185919 | 0.70 | RRM1 (0.53) | LMNACYP1A2CYP2C19MAOBMEN1 | |
| Toluene SCHEMBL5205324 | 0.69 | ACHE (0.79) | ACHECA4LMNATSHRALOX12 | |
| SCHEMBL903695 | 0.69 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL4819668 | 0.68 | BRD4 (0.57) | CA4ALDH1A1LMNAALOX12TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106456573-B | Functionalized 1, 3-benzenediols for treating hepatic encephalopathy and methods of use thereof | 康纳生物技术有限公司 | 2019-12-03 | — | — | CN | disclosed |