Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.53 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PI4KA | P42356 | 1/20 | 0.50 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.50 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1780458 | 1.00 | ALDH1A1 (0.56) | ALDH1A1HTTTDP1CYP1A2CYP2C19 | |
| SCHEMBL11803328 | 0.83 | HTT (0.59) | ALDH1A1HTTTDP1MAPTLMNA | |
| SCHEMBL27212829 | 0.76 | KDM1A (0.58) | ALDH1A1HTTTDP1MAPTLMNA | |
| SCHEMBL11807293 | 0.76 | MAPT (0.65) | ALDH1A1HTTTDP1MAPTLMNA | |
| SCHEMBL5269788 | 0.76 | BCAT2 (0.60) | ALDH1A1HTTTDP1CYP1A2CYP2C19 | |
| SCHEMBL6833209 | 0.75 | EGFR (0.42) | ALDH1A1HTTTDP1CYP1A2CYP2C19 | |
| SCHEMBL6837647 | 0.75 | EGFR (0.42) | EGFRRAB9A | |
| SCHEMBL6213388 | 0.74 | MAPT (0.61) | ALDH1A1HTTTDP1MAPTLMNA | |
| SCHEMBL5136561 | 0.73 | ALDH1A1 (0.58) | ALDH1A1HTTTDP1MAPTLMNA | |
| SCHEMBL5136559 | 0.73 | BCAT2 (0.57) | ALDH1A1HTTTDP1MAPTLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118974055-A | Quinazoline compounds as inhibitors of mutant KRAS proteins and uses thereof | 美国安进公司 | 2024-11-15 | — | — | CN | disclosed |
| EP-4329757-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Amgen Inc. (US) | 2024-03-06 | — | — | EP | disclosed |
| CN-117561063-A | Heterocyclic compounds and methods of use | 安进公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2022232331-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2022-11-03 | — | — | WO | disclosed |