Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL26114309 | 0.86 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL30587281 | 0.86 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL31470349 | 0.82 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL24718536 | 0.76 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL29813201 | 0.74 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL23496853 | 0.74 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL25643115 | 0.73 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL30587291 | 0.73 | ALDH1A1 (0.36) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL31085613 | 0.72 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL25639709 | 0.72 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 |
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 |