Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL11663718 | 0.97 | ACHE (0.59) | ACHETSHRALDH1A1CA2CA1 | |
| O-Tolylamine SCHEMBL28498557 | 0.82 | CYP3A4 (0.68) | ACHETSHRALDH1A1CYP3A4TDP1 | |
| O-Xylene SCHEMBL1502379 | 0.81 | TSHR (0.62) | ACHETSHRALDH1A1CA2CA1 | |
| O-Xylene SCHEMBL30374736 | 0.81 | TSHR (0.62) | ACHETSHRALDH1A1CA2CA1 | |
| O-Xylene SCHEMBL17255245 | 0.81 | TSHR (0.62) | ACHETSHRALDH1A1CA2CA1 | |
| O-Xylene SCHEMBL29061119 | 0.81 | TSHR (0.62) | ACHETSHRALDH1A1CA2CA1 | |
| O-Xylene SCHEMBL29498826 | 0.81 | TSHR (0.62) | ACHETSHRALDH1A1CA2CA1 | |
| O-Xylene SCHEMBL30445238 | 0.81 | TSHR (0.62) | ACHETSHRALDH1A1CA2CA1 | |
| SCHEMBL11665204 | 0.80 | TSHR (0.39) | ACHETSHRALDH1A1CYP3A4ACP3 | |
| O-Xylene SCHEMBL6272683 | 0.79 | TSHR (0.83) | ACHETSHRALDH1A1CA2CA1 |
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-105541912-A | Phosphorus-sulfur-halogen synergistic flame retardant plasticizer compound and preparation method thereof | UNIV SUZHOU SCIENCE & TECH | 2016-05-04 | — | — | CN | disclosed |