Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | FYN | P06241 | 2/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | NNMT | P40261 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3846129 | 0.83 | TDO2 (0.42) | CYP2A6TDO2HSD17B1HSD17B2MAPK1 | |
| SCHEMBL25343737 | 0.79 | TDO2 (0.32) | CYP2A6TDO2 | |
| SCHEMBL4022386 | 0.78 | TDO2 (0.43) | TDO2MKNK1MKNK2MAPK1TNIK | |
| SCHEMBL31174412 | 0.75 | CYP2A6 (0.68) | CYP2A6TDO2MKNK1MKNK2HSD17B1 | |
| SCHEMBL3754419 | 0.75 | CYP2A6 (0.68) | CYP2A6TDO2MKNK1MKNK2HSD17B1 | |
| SCHEMBL15984748 | 0.73 | CYP2A6 (0.54) | CYP2A6TDO2MKNK1MKNK2HSD17B1 | |
| SCHEMBL15730261 | 0.73 | CYP2A6 (0.54) | CYP2A6TDO2MKNK1MKNK2HSD17B1 | |
| SCHEMBL10094614 | 0.72 | CYP2A6 (0.61) | CYP2A6MKNK1MKNK2HSD17B1HSD17B2 | |
| SCHEMBL2419516 | 0.72 | MEN1 (0.40) | — | |
| SCHEMBL30884522 | 0.72 | ALDH1A1 (0.52) | CYP2A6TDO2MKNK1MKNK2HSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4476204-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | Theras, Inc. (US) | 2024-12-18 | — | — | EP | disclosed |
| WO-2023154282-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | THERAS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |