Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ4 | P56696 | 3/20 | 0.47 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.41 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.41 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.41 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.41 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29075935 | 0.89 | TRPA1 (0.48) | KCNQ4KCNQ5TRPA1EGLN2CYP17A1 | |
| SCHEMBL22987765 | 0.85 | HPGD (0.47) | MAOBPOLBABCC9ABCC8KCNJ11 | |
| SCHEMBL16075925 | 0.83 | KDM4E (0.42) | KCNQ4KCNQ5TRPA1EGLN2CYP17A1 | |
| SCHEMBL30871184 | 0.81 | ABCC9 (0.45) | TRPA1EGLN2CYP17A1ABCC9ABCC8 | |
| SCHEMBL857284 | 0.81 | HTT (0.55) | KCNQ4KCNQ5CYP17A1POLB | |
| SCHEMBL22988070 | 0.81 | NLRP3 (0.55) | KCNQ4KCNQ5POLB | |
| SCHEMBL5800267 | 0.80 | KCNQ4 (0.51) | KCNQ4KCNQ5CYP17A1POLBRXFP1 | |
| SCHEMBL8292291 | 0.80 | KCNQ4 (0.48) | KCNQ4KCNQ5CYP17A1 | |
| SCHEMBL30914163 | 0.80 | PDK1 (0.57) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL4774446 | 0.80 | PDK1 (0.57) | PDK1PDK2PDK3PDK4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117800975-A | Compounds with anti-KRAS mutant tumor activity | 泰励生物科技（上海）有限公司 | 2024-04-02 | — | — | CN | disclosed |