Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | ELANE | P08246 | 14/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | MLX | Q9UH92 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27360244 | 0.91 | TAAR1 (0.39) | CYP3A4CYP2C9ELANEXIAPMLX | |
| SCHEMBL27360360 | 0.91 | ELANE (0.38) | CYP3A4CYP2C9ELANEXIAPMLX | |
| SCHEMBL27360365 | 0.89 | ELANE (0.39) | CYP3A4CYP2C9ELANEXIAPMLX | |
| SCHEMBL27360243 | 0.89 | ELANE (0.40) | CYP3A4CYP2C9ELANEXIAPMLX | |
| SCHEMBL27360245 | 0.88 | ELANE (0.41) | ELANEXIAPMLXTAAR1 | |
| SCHEMBL27360362 | 0.88 | ELANE (0.40) | ELANEXIAPMLXTAAR1 | |
| SCHEMBL27360352 | 0.88 | XIAP (0.39) | ELANEXIAPMLXTAAR1 | |
| SCHEMBL27360478 | 0.88 | TAAR1 (0.36) | CYP3A4CYP2C9ELANEXIAPMLX | |
| SCHEMBL27360359 | 0.87 | XIAP (0.37) | CYP3A4CYP2C9ELANEXIAPMLX | |
| SCHEMBL27360364 | 0.87 | ELANE (0.37) | CYP3A4CYP2C9ELANEXIAPMLX |
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-2024040080-A1 | KRAS INHIBITOR CONJUGATES | ERASCA, INC. (US) | 2024-02-22 | — | — | WO | disclosed |