Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28586403 | 0.89 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2DAOTSHR | |
| SCHEMBL10713858 | 0.84 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2DAOTAAR1 | |
| SCHEMBL7757579 | 0.83 | CYP3A4 (0.41) | CYP3A4GABRA1GABRB2DAOTSHR | |
| SCHEMBL17264093 | 0.83 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2CYP2D6TSHR | |
| SCHEMBL510928 | 0.82 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2DAOCYP2D6 | |
| SCHEMBL10729869 | 0.82 | GABRA1 (0.49) | CYP3A4GABRA1GABRB2DAOTAAR1 | |
| SCHEMBL9015827 | 0.82 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2DAOCYP2D6 | |
| SCHEMBL10582945 | 0.81 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2CYP2D6TSHR | |
| SCHEMBL16322754 | 0.81 | CYP3A4 (0.55) | CYP3A4GABRA1GABRB2CYP2D6TSHR | |
| SCHEMBL28576503 | 0.80 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2DAOTSHR |
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 |