Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4856943 | 0.84 | CYP3A4 (0.59) | TSHRCYP3A4MAPK1ALDH1A1GAA | |
| SCHEMBL29356274 | 0.84 | CYP3A4 (0.59) | TSHRCYP3A4MAPK1ALDH1A1GAA | |
| SCHEMBL110840 | 0.84 | CYP3A4 (0.59) | TSHRCYP3A4MAPK1ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL30818252 | 0.82 | CYP3A4 (0.56) | TSHRCYP3A4MAPK1ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL374537 | 0.82 | CYP3A4 (0.56) | TSHRCYP3A4MAPK1ALDH1A1GAA | |
| SCHEMBL366722 | 0.80 | CA1 (0.43) | TSHRCYP3A4MAPK1TRPA1ATM | |
| Propane SCHEMBL10791092 | 0.79 | MAPK1 (0.48) | TSHRCYP3A4MAPK1ALDH1A1GAA | |
| Acetic Acid SCHEMBL9775966 | 0.77 | CYP3A4 (0.46) | TSHRCYP3A4MAPK1ALDH1A1GAA | |
| SCHEMBL3945285 | 0.74 | CYP3A4 (0.39) | TSHRCYP3A4MAPK1TRPA1ALDH1A1 | |
| SCHEMBL33721 | 0.72 | — | — |
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-106102696-A | Composition of detergent | 宝洁公司 | 2016-11-09 | — | — | CN | disclosed |