Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19583462 | 0.85 | CHRNA1 (0.33) | — | |
| SCHEMBL7115670 | 0.76 | MAOB (0.38) | ALDH1A1MAOB | |
| SCHEMBL10300138 | 0.73 | HPGD (0.42) | CYP1A2ALDH1A1SLC6A4TSHR | |
| SCHEMBL9858191 | 0.69 | CYP1A1 (0.51) | CYP1A1CYP1A2CYP1B1ALDH1A1MAOB | |
| SCHEMBL1351516 | 0.67 | LMNA (0.51) | CYP1A2PTGS2MAOBGAALMNA | |
| SCHEMBL2774995 | 0.67 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1ALDH1A1MAOB | |
| SCHEMBL83839 | 0.65 | ALDH1A1 (0.58) | CYP1A1CYP1A2CYP1B1NOS3NOS1 | |
| SCHEMBL1145983 | 0.65 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4 | |
| SCHEMBL11986269 | 0.65 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4 | |
| SCHEMBL11045066 | 0.65 | SMN1; SMN2 (0.38) | ALDH1A1GAA |
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-112250608-A | Synthetic method of 2-phenylacetylene selenol compound | 温州医科大学 | 2021-01-22 | — | — | CN | disclosed |