Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519547 | 0.83 | PDK2 (0.46) | PDK2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL29355122 | 0.76 | TDO2 (0.40) | PDK2ALDH1A1BACE1MAPTCYP19A1 | |
| SCHEMBL21061329 | 0.75 | IL2 (0.35) | GCKBACE1CYP2A6 | |
| SCHEMBL20301118 | 0.75 | NPC1 (0.46) | NPC1RAB9AALDH1A1BACE1AKR1C3 | |
| SCHEMBL20301029 | 0.75 | NPC1 (0.42) | NPC1RAB9AALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL322332 | 0.74 | AKR1C3 (0.43) | CYP2A6AKR1C3AKR1C2CYP1A2 | |
| SCHEMBL29353222 | 0.74 | AKR1C3 (0.43) | CYP2A6AKR1C3AKR1C2CYP1A2 | |
| SCHEMBL22782772 | 0.73 | BACE1 (0.37) | PDK2BACE1 | |
| SCHEMBL18623816 | 0.73 | KDM1A (0.36) | KDR | |
| SCHEMBL18289296 | 0.73 | BACE1 (0.30) | PIM1BACE1KDR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115023425-A | Pesticidally active heterocyclic derivatives with sulfur-containing substituents | 先正达农作物保护股份公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-115023420-A | Pesticidally active fused bicyclic heteroaromatic compounds | 先正达农作物保护股份公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-114341142-A | Strigolactone derivatives as plant growth regulator compounds | 先正达农作物保护股份公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-114269732-A | Pesticidally active pyrazine-amide compounds | 先正达农作物保护股份公司 | 2022-04-01 | — | — | CN | disclosed |
| CN-113966171-A | Fungicidal compositions | 先正达农作物保护股份公司 | 2022-01-21 | — | — | CN | disclosed |