Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 15/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.53 |
| ▸ | HTR1A | P08908 | 3/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28816467 | 0.92 | ABCB1 (0.58) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| SCHEMBL29229173 | 0.92 | ABCB1 (0.56) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| SCHEMBL30080126 | 0.84 | TAAR1 (0.54) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| SCHEMBL29066047 | 0.81 | CYP4F2 (0.56) | ABCB1 | |
| Methyl Alcohol SCHEMBL7428563 | 0.80 | ABCB1 (0.74) | ABCB1ABCG2HTR1ADRD2 | |
| SCHEMBL7438145 | 0.80 | ABCB1 (0.78) | ABCB1ABCG2HTR1ADRD2 | |
| SCHEMBL7437650 | 0.80 | ABCB1 (0.60) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| SCHEMBL7448046 | 0.78 | ABCB1 (0.57) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| Hydrochloric Acid SCHEMBL7434492 | 0.77 | TAAR1 (0.69) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| SCHEMBL29079537 | 0.77 | AKR1B1 (0.62) | ABCB1HTR1ADRD2TAAR1GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116162080-B | Extraction method and application of bibenzyl compound | 沈阳药科大学 | 2024-12-06 | — | — | CN | disclosed |
| CN-116162080-A | Extraction method and application of bibenzyl compound | 沈阳药科大学 | 2023-05-26 | — | — | CN | disclosed |