Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.33 |
| ▸ | WNT3A | P56704 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 5/20 | 0.32 |
| ▸ | CA12 | O43570 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL13177010 | 0.83 | CYP2A6 (0.66) | CYP2A6ALDH1A1DYRK1AMEN1KMT2A | |
| SCHEMBL17010916 | 0.83 | CYP2A6 (0.52) | CYP2A6ALDH1A1DYRK1AMEN1KMT2A | |
| SCHEMBL1024003 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TSHR | |
| Lithium SCHEMBL30427541 | 0.74 | ALDH1A1 (0.61) | ALDH1A1TSHR | |
| SCHEMBL16709761 | 0.73 | SMN1; SMN2 (0.44) | ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL17256151 | 0.72 | CYP2A6 (0.46) | CYP2A6ALDH1A1DYRK1ATSHR | |
| SCHEMBL16709796 | 0.71 | CYP2A6 (0.40) | CYP2A6MEN1KMT2APTPRCPTPN6 | |
| SCHEMBL9432076 | 0.71 | CYP2A6 (0.70) | CYP2A6ALDH1A1DYRK1AMEN1KMT2A | |
| SCHEMBL16709769 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL7538995 | 0.70 | CYP2A6 (0.47) | CYP2A6DYRK1AMEN1KMT2APTPRC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015068839-A1 | POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL | 新日鉄住金化学株式会社 | 2015-05-14 | — | — | WO | disclosed |