Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | HTR1B | P28222 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29489686 | 1.00 | DRD2 (0.43) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| Hydrochloric Acid SCHEMBL29489681 | 0.99 | DRD2 (0.43) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| Hydrochloric Acid SCHEMBL22721170 | 0.99 | DRD2 (0.43) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| SCHEMBL11194827 | 0.74 | DRD2 (0.49) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| Bromide SCHEMBL11196359 | 0.73 | DRD2 (0.48) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| Hydrochloric Acid SCHEMBL11196563 | 0.72 | DRD2 (0.47) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| Hydrochloric Acid SCHEMBL11198122 | 0.72 | DRD2 (0.55) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| SCHEMBL11197104 | 0.71 | DRD2 (0.52) | DRD2HTR1AHTR1DHTR1BSLC6A4 | |
| SCHEMBL22728530 | 0.70 | CRBN (0.49) | DRD2HTR1ASLC6A4KCNH2DRD4 | |
| SCHEMBL29489689 | 0.70 | CRBN (0.49) | DRD2HTR1ASLC6A4KCNH2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |
| WO-2020239073-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-12-03 | — | — | WO | disclosed |