Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 9/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28346151 | 0.78 | MAOB (0.47) | ALDH1A1CYP3A4MAOBMAOAMAPT | |
| SCHEMBL30947812 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13978657 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5013425 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28349415 | 0.73 | MAPT (0.41) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8773392 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16982170 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29116198 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9056199 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL30649150 | 0.71 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 |
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-110563632-B | Electrophilic selenocyanization reagent and preparation method and application thereof | 南宁师范大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-110563632-A | electrophilic selenocyanization reagent and preparation method and application thereof | 南宁师范大学 | 2019-12-13 | — | — | CN | disclosed |