Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30254643 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19DAOHTT | |
| SCHEMBL16105820 | 0.83 | DAO (0.55) | DAOHTTALDH1A1TAAR1MAOB | |
| SCHEMBL16191225 | 0.77 | HTT (0.51) | DAOHTTTAAR1KDM1AMAOB | |
| SCHEMBL3246622 | 0.76 | DAO (0.46) | CYP2D6DAOHTTALDH1A1TAAR1 | |
| SCHEMBL631580 | 0.76 | TAAR1 (0.58) | CYP1A2CYP2D6CYP2C19DAOALDH1A1 | |
| SCHEMBL3120224 | 0.74 | DAO (0.44) | DAOHTTALDH1A1TAAR1MAOB | |
| SCHEMBL8343565 | 0.74 | DAO (0.44) | DAOHTTALDH1A1TAAR1KDM1A | |
| Hydrochloric Acid SCHEMBL8951123 | 0.74 | DAO (0.44) | DAOHTTALDH1A1TAAR1MAOB | |
| SCHEMBL530305 | 0.74 | CNR1 (0.48) | DAOHTTALDH1A1MAOB | |
| SCHEMBL17552674 | 0.74 | DAO (0.44) | DAOHTTALDH1A1TAAR1KDM1A |
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-115651017-A | Method for selectively preparing benzyl or alkyl phosphine oxide compound based on benzyl thioether derivative | 中南大学 | 2023-01-31 | — | — | CN | disclosed |