Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5026807 | 0.90 | CA2 (0.70) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL31495237 | 0.84 | CYP3A4 (0.53) | CA2CA1BCHEACHECYP3A4 | |
| SCHEMBL14054606 | 0.83 | HPGD (0.49) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL20710745 | 0.82 | CA1 (0.62) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL3294100 | 0.82 | TSHR (0.69) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL13280266 | 0.81 | CYP3A4 (0.58) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL7629194 | 0.81 | CA2 (0.60) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL20710737 | 0.81 | CA2 (0.60) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL4424767 | 0.81 | CA2 (0.60) | CA2CA1BCHEACHEMEN1 | |
| SCHEMBL28909491 | 0.81 | CA2 (0.60) | CA2CA1BCHEACHEMEN1 |
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-108424346-B | Trihalo-substituted triphenylethylene photochromic material and synthesis method and application thereof | 中山大学 | 2021-06-11 | — | — | CN | disclosed |