Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.34 |
| ▸ | PPARD | Q03181 | 7/20 | 0.34 |
| ▸ | PPARA | Q07869 | 7/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TLR2 | O60603 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28125469 | 0.85 | AKR1B1 (0.52) | TSHRAKR1B1GPR84PPARGPPARD | |
| SCHEMBL28069612 | 0.79 | HDAC3 (0.48) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL9641073 | 0.72 | — | — | |
| Butyric Acid SCHEMBL28967767 | 0.70 | — | — | |
| SCHEMBL11498147 | 0.69 | HDAC3 (0.61) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| Malonic Acid SCHEMBL12399755 | 0.69 | HDAC3 (0.81) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL3683839 | 0.69 | — | — | |
| Butyric Acid SCHEMBL28082071 | 0.69 | — | — | |
| Ethylene SCHEMBL27551619 | 0.69 | HDAC3 (0.52) | HDAC3HDAC1HDAC2HDAC8FFAR3 | |
| SCHEMBL81438 | 0.67 | — | — |
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-104812751-B | Nitrogen-containing heterocyclic compounds for the control of plant diseases | 拜尔农作物科学股份公司 | 2018-06-05 | — | — | CN | disclosed |