Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | CTH | P32929 | 1/20 | 0.30 |
| ▸ | CBS | P35520 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL56720 | 0.82 | — | — | |
| SCHEMBL27708837 | 0.81 | EPHX2 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| Alcohol SCHEMBL4292742 | 0.76 | FFAR3 (0.36) | CYP1A2ALDH1A1GLASMN1; SMN2TSHR | |
| Ether SCHEMBL11544644 | 0.72 | GLA (0.34) | ALDH1A1GLATSHRCTHCBS | |
| SCHEMBL2943528 | 0.72 | ALDH1A1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| Heptane SCHEMBL1673978 | 0.71 | PAM (0.52) | ALDH1A1HSD17B10TSHR | |
| SCHEMBL11713191 | 0.68 | PAM (0.44) | ALDH1A1GAATSHRCTHCBS | |
| SCHEMBL7487932 | 0.68 | TSHR (0.33) | ALDH1A1TSHRCTHCBSTHPO | |
| SCHEMBL2948579 | 0.68 | TSHR (0.33) | ALDH1A1HPGDTSHRCTHCBS | |
| SCHEMBL48977 | 0.68 | — | — |
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-101228000-B | Water-soluble preflux and use thereof | SHIKOKU CHEM | 2010-06-09 | — | — | CN | disclosed |
| CN-101228000-A | Water-soluble preflux and use thereof | SHIKOKU CHEM (JP) | 2008-07-23 | — | — | CN | disclosed |