Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP1 | P63208 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28766422 | 1.00 | KCNH2 (0.48) | KCNH2ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL29673158 | 0.85 | MAPT (0.50) | KCNH2ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL28768664 | 0.85 | MAPT (0.50) | KCNH2ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL28766498 | 0.84 | GPR119 (0.41) | KCNH2ALDH1A1LMNAMAPTGPR119 | |
| SCHEMBL28766492 | 0.84 | GPR119 (0.41) | KCNH2ALDH1A1LMNAMAPTGPR119 | |
| SCHEMBL29673070 | 0.84 | GPR119 (0.41) | KCNH2ALDH1A1LMNAMAPTGPR119 | |
| SCHEMBL29724314 | 0.83 | ABL1 (0.42) | ALDH1A1LMNAMAPTABL1BCR | |
| SCHEMBL20213112 | 0.82 | KCNH2 (0.48) | KCNH2ALDH1A1LMNAMAPTPOLB | |
| SCHEMBL1693887 | 0.76 | ALDH1A1 (0.44) | KCNH2ALDH1A1LMNAMAPTCCNT1 | |
| SCHEMBL6628480 | 0.75 | MAPT (0.52) | KCNH2ALDH1A1LMNAMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022127827-A1 | KRASG12C PROTEIN MUTATION INHIBITOR AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 上海维申医药有限公司 | 2022-06-23 | — | — | WO | disclosed |
| CN-114644631-A | KRAS G12C protein mutation inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-06-21 | — | — | CN | disclosed |