Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4540745 | 0.82 | CYP2D6 (0.39) | CYP2D6CYP2C19MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL9722592 | 0.82 | MTNR1A (0.33) | MTNR1AMTNR1B | |
| SCHEMBL5070299 | 0.78 | MEN1 (0.33) | CYP2D6CYP2C19 | |
| SCHEMBL21877077 | 0.72 | CYP2D6 (0.39) | CYP2D6CYP2C19MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL3256673 | 0.71 | CYP2D6 (0.43) | CYP2D6CYP2C19MTNR1AMTNR1BHPGD | |
| SCHEMBL3323698 | 0.71 | CYP2D6 (0.43) | CYP2D6CYP2C19MTNR1AMTNR1BHPGD | |
| SCHEMBL8982322 | 0.71 | CYP2D6 (0.43) | CYP2D6CYP2C19MTNR1AMTNR1BHPGD | |
| SCHEMBL20954114 | 0.70 | CYP2D6 (0.36) | CYP2D6CYP2C19 | |
| SCHEMBL9067196 | 0.69 | TSHR (0.43) | ALDH1A1 | |
| SCHEMBL667964 | 0.69 | — | — |
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-114344017-B | Medical bill and preparation method thereof | 中昊晨光化工研究院有限公司 | 2023-04-28 | — | — | CN | claimed |