Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5938471 | 1.00 | NPC1 (0.40) | NPC1ALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL5940111 | 0.91 | NPC1 (0.46) | NPC1ALDH1A1HSD17B10 | |
| SCHEMBL23406490 | 0.88 | HSD11B1 (0.41) | HSD17B10KDM4EMAPTTHRBGRM5 | |
| SCHEMBL5938275 | 0.88 | HSD11B1 (0.41) | HSD17B10KDM4EMAPTTHRBGRM5 | |
| SCHEMBL23406491 | 0.88 | HSD11B1 (0.41) | HSD17B10KDM4EMAPTTHRBGRM5 | |
| SCHEMBL1691897 | 0.86 | HSD11B1 (0.40) | NPC1HSD17B10CHRM2CHRM1CHRM3 | |
| SCHEMBL1691937 | 0.86 | HSD11B1 (0.40) | NPC1HSD17B10CHRM2CHRM1CHRM3 | |
| SCHEMBL19251177 | 0.83 | AR (0.43) | NPC1ALDH1A1HSD17B10CHRM2CHRM1 | |
| SCHEMBL15245630 | 0.80 | HSD11B1 (0.42) | NPC1HSD17B10 | |
| SCHEMBL5939353 | 0.79 | HSD11B1 (0.46) | NPC1ALDH1A1HSD17B10 |
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-4615847-A1 | SMALL MOLECULE INHIBITORS OF KRAS PROTEINS | Merck Sharp & Dohme LLC (US) | 2025-09-17 | — | — | EP | disclosed |
| WO-2024103010-A1 | SMALL MOLECULE INHIBITORS OF KRAS PROTEINS | MERCK SHARP & DOHME LLC (US) | 2024-05-16 | — | — | WO | disclosed |