Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL29344497 | 0.90 | CYP4F2 (0.34) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL29344084 | 0.83 | CYP4F2 (0.39) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL20974775 | 0.77 | CYP4F2 (0.40) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL24780428 | 0.77 | KRAS (0.35) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL30952509 | 0.75 | CYP4F2 (0.41) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL30959179 | 0.72 | CYP4F2 (0.37) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL30959147 | 0.72 | CYP4F2 (0.40) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL25287787 | 0.71 | ALDH1A1 (0.45) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL24779651 | 0.70 | CYP4F2 (0.41) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL25021243 | 0.70 | CYP4F2 (0.49) | CYP4F2CYP4A11RXRARXRBRXRG |
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-4322954-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2024-02-21 | — | — | EP | disclosed |
| WO-2022221739-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-10-20 | — | — | WO | disclosed |