Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 5/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 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 | |
|---|---|---|---|---|
| SCHEMBL26110733 | 0.88 | TSHR (0.57) | TSHRHPGDSMPD1ALDH1A1CYP3A4 | |
| SCHEMBL1923648 | 0.80 | SMPD1 (0.59) | SMPD1FDPSPTPN1LPAR3LPAR1 | |
| Acrylic Acid Ethyl Ester SCHEMBL9232117 | 0.79 | TSHR (0.54) | TSHRHPGDALDH1A1CYP3A4FDPS | |
| SCHEMBL5852839 | 0.79 | TSHR (0.49) | TSHRHPGDSMPD1ALDH1A1CYP3A4 | |
| Acrylic Acid SCHEMBL27487216 | 0.79 | SMPD1 (0.51) | SMPD1ALDH1A1FDPSPTPN1LPAR3 | |
| SCHEMBL11865816 | 0.79 | TSHR (0.50) | TSHRHPGDSMPD1ALDH1A1CYP3A4 | |
| SCHEMBL17923899 | 0.78 | TSHR (0.47) | TSHRHPGDSMPD1ALDH1A1CYP3A4 | |
| SCHEMBL9858838 | 0.77 | TSHR (0.53) | TSHRHPGDSMPD1ALDH1A1CYP3A4 | |
| SCHEMBL448393 | 0.77 | SMPD1 (0.66) | SMPD1FDPSPTPN1LPAR3LPAR1 | |
| SCHEMBL295980 | 0.77 | SMPD1 (0.55) | SMPD1FDPSPTPN1LPAR3LPAR1 |
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-104678725-B | Toner | 佳能株式会社 | 2018-11-20 | — | — | CN | disclosed |