Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31358113 | 0.84 | HTR1A (0.37) | HTR1AGPR84TRPA1 | |
| SCHEMBL19216724 | 0.77 | HTR1A (0.36) | HTR1AGPR84TRPA1 | |
| SCHEMBL20576934 | 0.77 | ALDH1A1 (0.35) | HTR1AGPR84TRPA1 | |
| SCHEMBL29953964 | 0.73 | CYP2A6 (0.51) | HTR1A | |
| SCHEMBL14663023 | 0.73 | CYP2A6 (0.51) | HTR1A | |
| SCHEMBL21600577 | 0.73 | HTR1A (0.43) | HTR1AGPR84 | |
| SCHEMBL5387311 | 0.70 | HTR1A (0.48) | HTR1AGPR84 | |
| SCHEMBL5392766 | 0.69 | HTR1A (0.38) | HTR1AGPR84 | |
| SCHEMBL25643010 | 0.68 | — | — | |
| SCHEMBL5398443 | 0.67 | HTR1A (0.42) | HTR1AGPR84 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023104018-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUND AS KRAS G12D INHIBITOR | 苏州浦合医药科技有限公司 | 2023-06-15 | — | — | WO | disclosed |