Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19617285 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL14264196 | 0.82 | NQO1 (0.52) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL13302148 | 0.81 | PTGES (0.48) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL22291695 | 0.81 | MAPT (0.57) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL25992584 | 0.80 | NQO1 (0.46) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL6345611 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL25992583 | 0.80 | MAPT (0.52) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL15212737 | 0.78 | NQO1 (0.47) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL5460840 | 0.78 | NQO1 (0.47) | ALDH1A1HPGDKDM4ENQO1MAPT | |
| SCHEMBL19616981 | 0.77 | SMN1; SMN2 (0.52) | MAPTSMN1; SMN2LMNAMAPK1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4087573-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2022-11-16 | — | — | EP | disclosed |