Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 18/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20362100 | 0.72 | DRD2 (0.72) | DRD2KCNH2ALDH1A1TP53CYP3A4 | |
| SCHEMBL21091236 | 0.70 | DRD2 (0.70) | DRD2KCNH2HTR1AHTR7ALDH1A1 | |
| SCHEMBL17797622 | 0.69 | CASP1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL20214033 | 0.68 | MEN1 (0.64) | DRD2HTR1AALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL2061017 | 0.68 | MEN1 (0.64) | DRD2HTR1AALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL12476861 | 0.65 | DRD2 (0.41) | DRD2KCNH2ALDH1A1SMN1; SMN2 | |
| SCHEMBL10196887 | 0.64 | GRM5 (0.48) | ALDH1A1 | |
| SCHEMBL9885168 | 0.64 | SMN1; SMN2 (0.71) | DRD2ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL20664224 | 0.64 | DRD2 (0.51) | DRD2KCNH2ALDH1A1TP53CYP3A4 | |
| SCHEMBL31559547 | 0.63 | MEN1 (0.47) | — |
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-2024088407-A1 | NITROGEN-CONTAINING FUSED RING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州圣域生物医药科技有限公司 | 2024-05-02 | — | — | WO | disclosed |
| CN-117946138-A | And ring nitrogen-containing compound, intermediate thereof, preparation method and application | 杭州圣域生物医药科技有限公司 | 2024-04-30 | — | — | CN | disclosed |