Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR | Q13258 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL28026745 | 0.82 | CYP3A4 (0.43) | CYP3A4MAPTMEN1KMT2ALMNA | |
| SCHEMBL21728222 | 0.81 | CYP3A4 (0.39) | PTGDRPTGDR2CYP3A4MAPTMEN1 | |
| SCHEMBL2490536 | 0.80 | GABRA1 (0.66) | PTGDRPTGDR2CYP3A4GABRA1GABRB2 | |
| SCHEMBL6447941 | 0.80 | CYP3A4 (0.42) | CYP3A4MAPTMEN1KMT2ALMNA | |
| SCHEMBL30976143 | 0.79 | TAAR1 (0.50) | GABRA1GABRB2MAPTLMNASMN1; SMN2 | |
| SCHEMBL170382 | 0.79 | TAAR1 (0.50) | GABRA1GABRB2MAPTLMNASMN1; SMN2 | |
| SCHEMBL15066541 | 0.79 | PTGDR (0.50) | PTGDRPTGDR2CYP3A4GABRA1GABRB2 | |
| SCHEMBL9003492 | 0.78 | GABRA1 (0.49) | CYP3A4GABRA1GABRB2MAPTMEN1 | |
| SCHEMBL2555304 | 0.78 | ALDH1A1 (0.48) | CYP3A4GABRA1GABRB2MAPTTHRB | |
| SCHEMBL6588336 | 0.77 | CYP3A4 (0.46) | CYP3A4MAPTMEN1KMT2ALMNA |
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-108863873-A | A kind of sulphur allyl carbonate esters compound and preparation method thereof | 台州学院 | 2018-11-23 | — | — | CN | disclosed |