Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL75789 | 0.88 | CYP2D6 (0.55) | CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL24536218 | 0.80 | CYP2D6 (0.50) | CYP2D6CYP3A4TSHRUSP2SIGMAR1 | |
| SCHEMBL5570751 | 0.78 | CYP3A4 (0.51) | CYP2D6CYP3A4TSHRCYP1A2SIGMAR1 | |
| SCHEMBL7500958 | 0.77 | CYP2D6 (0.56) | CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL23285195 | 0.77 | CYP2D6 (0.48) | CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL9749110 | 0.75 | MAOA (0.56) | CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL3493144 | 0.75 | CYP2D6 (0.54) | CYP2D6CYP3A4TSHRUSP2SIGMAR1 | |
| SCHEMBL13201417 | 0.74 | CYP3A4 (0.50) | CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL13201457 | 0.74 | CYP3A4 (0.50) | CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL13201427 | 0.74 | CYP3A4 (0.50) | CYP2D6CYP3A4TSHRSIGMAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4262807-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| WO-2022132200-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022132200-A1 | AZAQUINAZOLINE PAN-KRAS INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-06-23 | — | — | WO | disclosed |