Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 5/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MPI | P34949 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | ESRRA | P11474 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29344478 | 1.00 | NQO2 (0.55) | NQO2ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL9098788 | 0.80 | NQO2 (0.55) | NQO2ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL31588569 | 0.80 | ESR2 (0.59) | NQO2ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL29614953 | 0.80 | ESR2 (0.59) | NQO2ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL8913792 | 0.80 | ESR2 (0.59) | NQO2ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL7038981 | 0.78 | CYP1A2 (0.43) | NQO2ESR1ESR2CYP1A2ESRRB | |
| SCHEMBL30365640 | 0.78 | CYP1A2 (0.43) | NQO2ESR1ESR2CYP1A2ESRRB | |
| SCHEMBL29976877 | 0.78 | CYP2A6 (0.41) | NQO2ESR1ESR2ALDH1A1KDM4E | |
| SCHEMBL31587957 | 0.77 | TRPM4 (0.46) | ALDH1A1MAPTHPGDTRPM4CYP1A2 | |
| SCHEMBL313567 | 0.77 | TRPM4 (0.46) | ALDH1A1MAPTHPGDTRPM4CYP1A2 |
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 |