Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27621428 | 0.98 | CYP1A2 (0.48) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 | |
| SCHEMBL8166179 | 0.86 | CYP1A2 (0.48) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 | |
| SCHEMBL19656194 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2C19HIF1AALDH1A1MAPK1 | |
| SCHEMBL8166176 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2C19HIF1AALDH1A1CYP3A4 | |
| SCHEMBL4873449 | 0.77 | CYP2C19 (0.47) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 | |
| SCHEMBL5329346 | 0.77 | KIF11 (0.53) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 | |
| SCHEMBL6548609 | 0.77 | HIF1A (0.57) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 | |
| SCHEMBL13851657 | 0.75 | CYP2C19 (0.45) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 | |
| SCHEMBL7531100 | 0.75 | CYP2C19 (0.45) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 | |
| SCHEMBL9098506 | 0.75 | CYP2C19 (0.45) | CYP1A2CYP2C19HIF1AKEAP1ALDH1A1 |
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-104672083-A | Cornfield herbicide compound and application thereof | SHANDONG CYNDA CHEMICAL CO LTD | 2015-06-03 | — | — | CN | disclosed |