Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | USP7 | Q93009 | 2/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27120497 | 1.00 | KCNH2 (0.38) | KCNH2USP7KITEGFRERBB2 | |
| Hydrochloric Acid SCHEMBL30781257 | 0.99 | KCNH2 (0.37) | KCNH2USP7KITEGFRERBB2 | |
| Hydrochloric Acid SCHEMBL27148160 | 0.99 | KCNH2 (0.37) | KCNH2USP7KITEGFRERBB2 | |
| SCHEMBL27120278 | 0.94 | USP7 (0.44) | KCNH2USP7KITPDE1B | |
| SCHEMBL30781268 | 0.94 | USP7 (0.44) | KCNH2USP7KITPDE1B | |
| SCHEMBL27124793 | 0.94 | USP7 (0.44) | KCNH2USP7KITPDE1B | |
| SCHEMBL30781299 | 0.94 | USP7 (0.44) | KCNH2USP7KITPDE1B | |
| SCHEMBL30781283 | 0.94 | USP7 (0.44) | KCNH2USP7KITPDE1B | |
| SCHEMBL27119964 | 0.94 | USP7 (0.44) | KCNH2USP7KITPDE1B | |
| Hydrochloric Acid SCHEMBL30781307 | 0.94 | USP7 (0.43) | KCNH2USP7KITPDE1B |
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-2024042494-A1 | SUBSTITUTED PYRROLOTRIAZINES | MOLECURE SA (PL) | 2024-02-29 | — | — | WO | claimed |
| WO-2024042494-A1 | SUBSTITUTED PYRROLOTRIAZINES | MOLECURE SA (PL) | 2024-02-29 | — | — | WO | disclosed |