Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.63 |
| ▸ | CES1 | P23141 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | DDX3X | O00571 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL27310077 | 0.92 | TSHR (0.74) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL28593652 | 0.92 | TSHR (0.74) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL27724274 | 0.90 | TSHR (0.77) | TSHRLMNAALDH1A1CES2CES1 | |
| Nitrobenzene SCHEMBL27355882 | 0.88 | ALDH1A1 (0.70) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL27465942 | 0.87 | TSHR (0.81) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL27709667 | 0.86 | TSHR (0.71) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL27442892 | 0.85 | TSHR (0.85) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL27564057 | 0.85 | TSHR (0.94) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL29291896 | 0.82 | TSHR (1.00) | TSHRLMNAALDH1A1CES2CES1 | |
| Dinitrophenylene SCHEMBL36632 | 0.82 | TSHR (1.00) | TSHRLMNAALDH1A1CES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106645120-B | Detect the kit and preparation method thereof of single hydroxyl phenolic metabolism object in urine | 江苏华鸣生物科技有限公司 | 2019-01-15 | — | — | CN | disclosed |
| CN-106645120-A | Kit for detecting monohydroxyphenol metabolite in urine and preparation method of kit | 江苏华鸣生物科技有限公司 | 2017-05-10 | — | — | CN | disclosed |