Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HCN4 | Q9Y3Q4 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7900037 | 1.00 | NQO2 (0.43) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| SCHEMBL29561955 | 1.00 | NQO2 (0.43) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| SCHEMBL221006 | 1.00 | NQO2 (0.43) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| SCHEMBL3143084 | 1.00 | NQO2 (0.43) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| SCHEMBL224105 | 1.00 | NQO2 (0.43) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL385259 | 0.98 | NQO2 (0.42) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL30626131 | 0.98 | NQO2 (0.42) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL29693806 | 0.98 | NQO2 (0.42) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL547432 | 0.98 | NQO2 (0.42) | NQO2MTNR1AMTNR1BCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL29693778 | 0.98 | NQO2 (0.42) | NQO2MTNR1AMTNR1BCYP3A4MAPT |
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-104557573-A | Preparation method of (1S)-4,5-dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride | SHANGHAI TIANCI BIOLOG VALLEY BIOLOG ENGINEERING CO LTD | 2015-04-29 | — | — | CN | disclosed |