Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CPA3 | P15088 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL161151 | 0.84 | CA12 (0.48) | NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL161152 | 0.82 | NR4A2 (0.38) | NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6 | |
| Benzoyl Peroxide SCHEMBL28131759 | 0.81 | LMNA (0.52) | NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6 | |
| Thiobenzoic Acid SCHEMBL28164247 | 0.81 | NR4A2 (0.40) | NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6 | |
| Thiobenzoic Acid SCHEMBL2354925 | 0.81 | NR4A2 (0.40) | NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6 | |
| Benzoic Acid SCHEMBL28684289 | 0.81 | DAO (0.39) | ALDH1A1TSHRLMNATDP1CTSL | |
| Diphenylmethane SCHEMBL28288647 | 0.78 | CPA3 (0.46) | ALDH1A1CYP2C19CYP1A2CYP2D6TSHR | |
| SCHEMBL4229223 | 0.78 | NR4A2 (0.37) | NR4A2ALDH1A1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL11580814 | 0.77 | LIG1 (0.46) | ALDH1A1CYP2C19CYP1A2CYP2D6LMNA | |
| SCHEMBL35490 | 0.76 | — | — |
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-104177573-B | A kind of quaternary ammonium salt-fluorine silica acrylic acid ester block copolymer and preparation method and application are in antimicrobial coating material | 天津大学 | 2016-09-07 | — | — | CN | disclosed |