Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.35 |
| ▸ | GABRE | P78334 | 2/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30739832 | 1.00 | AKR1B1 (0.39) | AKR1B1KEAP1GABRPGABRDGABRA1 | |
| SCHEMBL29459948 | 0.85 | AKR1B1 (0.43) | AKR1B1CXCL8KDM4EPTGS1PTGS2 | |
| SCHEMBL909585 | 0.85 | AKR1B1 (0.43) | AKR1B1CXCL8KDM4EPTGS1PTGS2 | |
| SCHEMBL7245085 | 0.84 | CA2 (0.36) | KEAP1HDAC1HDAC6ALDH1A1CA2 | |
| Hydrochloric Acid SCHEMBL1372127 | 0.83 | AKR1B1 (0.42) | AKR1B1CXCL8KDM4EPTGS1PTGS2 | |
| SCHEMBL29835949 | 0.80 | MEP1B (0.49) | AKR1B1CXCL8KDM4EALDH1A1GLA | |
| SCHEMBL22918116 | 0.80 | MEP1B (0.49) | AKR1B1CXCL8KDM4EALDH1A1GLA | |
| SCHEMBL3736586 | 0.78 | AKR1B1 (0.52) | AKR1B1CXCL8KDM4ECA2LMNA | |
| SCHEMBL2142648 | 0.78 | CYP1A2 (0.45) | AKR1B1KDM4EPTGS2ALDH1A1GAA | |
| SCHEMBL6286616 | 0.78 | GAA (0.45) | HDAC1HDAC6KDM4EALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118044519-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-110072842-B | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-107312319-A | A kind of polyurethane rubber anti-skid safety footwear | 扬州多力鞋服有限公司 | 2017-11-03 | — | — | CN | disclosed |