Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 18/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30676750 | 1.00 | CYP1B1 (0.56) | CYP1B1ALDH1A1POLBRXFP1 | |
| SCHEMBL22400684 | 0.85 | CASP3 (0.45) | CYP1B1ALDH1A1RXFP1 | |
| SCHEMBL6095022 | 0.79 | TYR (0.64) | CYP1B1ALDH1A1 | |
| SCHEMBL2558741 | 0.78 | GRM5 (0.52) | CYP1B1 | |
| SCHEMBL18669095 | 0.78 | RPS6KA2 (0.53) | CYP1B1RXFP1 | |
| SCHEMBL14321537 | 0.78 | RXFP1 (0.47) | CYP1B1ALDH1A1RXFP1 | |
| SCHEMBL14338959 | 0.78 | RPS6KA2 (0.53) | CYP1B1ALDH1A1POLB | |
| SCHEMBL29629115 | 0.78 | GRM5 (0.52) | CYP1B1 | |
| SCHEMBL14321143 | 0.76 | CASP3 (0.43) | ALDH1A1POLBRXFP1 | |
| SCHEMBL1337353 | 0.76 | CA12 (0.57) | ALDH1A1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874232-B | Preparation method and application of thienopyrimidinone compound containing ethyl naphthalene structure | 山东大学 | 2023-11-14 | — | — | CN | claimed |
| CN-114874232-B | Preparation method and application of thienopyrimidinone compound containing ethyl naphthalene structure | 山东大学 | 2023-11-14 | — | — | CN | disclosed |
| WO-2023143034-A1 | PYRIDOIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 山东大学 | 2023-08-03 | — | — | WO | disclosed |