Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9488981 | 0.98 | CYP1A2 (0.38) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| SCHEMBL6739162 | 0.89 | CHRNB2 (0.44) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| SCHEMBL1907356 | 0.87 | CHRNB2 (0.42) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| SCHEMBL8333332 | 0.81 | CYP1A2 (0.41) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| SCHEMBL31026188 | 0.81 | CYP1A2 (0.41) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| SCHEMBL3792450 | 0.81 | CYP1A2 (0.41) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| SCHEMBL21596445 | 0.81 | CYP1A2 (0.41) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| SCHEMBL4486955 | 0.81 | CYP1A2 (0.41) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 | |
| Methyl 2-Methylbutanoate SCHEMBL27482259 | 0.80 | GRM2 (0.33) | HTTSMN1; SMN2GRM2ALDH1A1 | |
| SCHEMBL2145804 | 0.79 | CYP1A2 (0.40) | CYP1A2HTTSMN1; SMN2CHRNB2CHRNA7 |
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-109267073-A | Wax removal water and the preparation method and application thereof | 深圳市中科东明表面处理新材料技术有限公司 | 2019-01-25 | — | — | CN | disclosed |