Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30781859 | 1.00 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL27147311 | 0.85 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9AMAPK1HSD17B10 | |
| SCHEMBL30781872 | 0.84 | TRPA1 (0.35) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL27100884 | 0.84 | TRPA1 (0.35) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL29813201 | 0.84 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL23496853 | 0.84 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL31387734 | 0.84 | SMN1; SMN2 (0.40) | NPC1RAB9AMAPTPOLBTP53 | |
| SCHEMBL24718536 | 0.77 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL25643115 | 0.75 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AALOX15MAPK1 | |
| SCHEMBL30587281 | 0.74 | ALDH1A1 (0.48) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024044667-A2 | SMALL MOLECULE INHIBITORS OF KRAS PROTEINS | MERCK SHARP & DOHME LLC (US) | 2024-02-29 | — | — | WO | disclosed |