Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CPA3 | P15088 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5610606 | 0.81 | TAAR1 (0.46) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 | |
| SCHEMBL4650877 | 0.76 | EPHX1 (0.55) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 | |
| SCHEMBL8711135 | 0.76 | EPHX1 (0.55) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11846863 | 0.74 | SRR (0.49) | EPHX1CYP1A2CPA3FOLH1SRR | |
| Bromide SCHEMBL1046181 | 0.74 | EPHX1 (0.52) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 | |
| SCHEMBL7889486 | 0.74 | EPHX1 (0.52) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 | |
| SCHEMBL16666612 | 0.73 | MEN1 (0.40) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL5146904 | 0.72 | EPHX1 (0.50) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 | |
| SCHEMBL4138291 | 0.72 | EPHX1 (0.50) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 | |
| SCHEMBL1493103 | 0.72 | SIGMAR1 (0.58) | EPHX1ANPEPTAAR1SLC6A2SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115772103-A | Method for preparing sulfoxide compound by catalytic oxidation of thioether | 华东师范大学 | 2023-03-10 | — | — | CN | disclosed |
| CN-110241095-B | CYP119 enzyme, and mutant and application thereof | 西南医科大学 | 2022-11-01 | — | — | CN | disclosed |