Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 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 | |
|---|---|---|---|---|
| SCHEMBL27162953 | 1.00 | ALDH1A1 (0.42) | ALDH1A1MAPTLMNANPC1HTT | |
| SCHEMBL103325 | 0.84 | MAPT (0.43) | ALDH1A1MAPTLMNANPC1HTT | |
| SCHEMBL2274349 | 0.82 | TSHR (0.50) | ALDH1A1TSHRGRIN2DGRIN3BGRIN1 | |
| SCHEMBL16909268 | 0.81 | MAPT (0.41) | ALDH1A1MAPTLMNANPC1HTT | |
| SCHEMBL19980137 | 0.79 | MAPT (0.43) | ALDH1A1MAPTLMNANPC1RAB9A | |
| SCHEMBL30045664 | 0.79 | MAPT (0.42) | ALDH1A1MAPTLMNANPC1HTT | |
| SCHEMBL30038957 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNANPC1HTT | |
| SCHEMBL22154442 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MAPTLMNANPC1HTT | |
| SCHEMBL27162629 | 0.79 | MAPT (0.42) | ALDH1A1MAPTLMNANPC1HTT | |
| SCHEMBL27162701 | 0.78 | MAPT (0.39) | ALDH1A1MAPTLMNANPC1HTT |
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-4329749-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | Merck Sharp & Dohme LLC (US) | 2024-03-06 | — | — | EP | disclosed |
| WO-2022232318-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT | MERCK SHARP & DOHME CORP. (US) | 2022-11-03 | — | — | WO | disclosed |