Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL241534 | 0.81 | CYP3A4 (0.61) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL23721668 | 0.81 | CYP3A4 (0.61) | CYP3A4TSHRMAPK1TDP1 | |
| Hydrogen Sulfide SCHEMBL3894665 | 0.79 | CYP3A4 (0.58) | CYP3A4TSHRMAPK1TDP1 | |
| Water SCHEMBL3898007 | 0.79 | CYP3A4 (0.58) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL424170 | 0.77 | — | — | |
| SCHEMBL27989815 | 0.76 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1CYP3A4ERN1 | |
| SCHEMBL2114610 | 0.74 | CYP3A4 (0.54) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL2548776 | 0.74 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1CYP3A4ERN1 | |
| SCHEMBL15430 | 0.73 | CYP3A4 (0.70) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL28122599 | 0.73 | ERN1 (0.39) | CYP2A6CYP2B6CYP2E1CYP3A4ERN1 |
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-103080269-B | Photochromic composition | TOKUYAMA CORP. (JP) | 2015-12-16 | — | — | CN | disclosed |