Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2355599 | 0.76 | ALDH1A1 (0.51) | CYP2C9RIPK1ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL2355592 | 0.76 | ALDH1A1 (0.51) | CYP2C9RIPK1ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL21842063 | 0.76 | CYP2C9 (0.49) | CYP2C9RIPK1ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL1416058 | 0.75 | ALDH1A1 (0.61) | CYP2C9RIPK1ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL12500475 | 0.75 | ALOX12 (0.50) | CYP2C9RIPK1ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL20122668 | 0.74 | ALDH1A1 (0.46) | CYP2C9RIPK1ALDH1A1CYP2C19CYP2D6 | |
| N-Benzylmethylamine SCHEMBL8416987 | 0.73 | CYP2C9 (0.54) | CYP2C9RIPK1ALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL23836146 | 0.73 | LMNA (0.68) | CYP2C9ALDH1A1CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL2049219 | 0.73 | GRIK1 (0.35) | ALDH1A1CYP3A4KMT2AMMP1MMP2 | |
| Oxalic Acid SCHEMBL30366556 | 0.73 | GAA (0.61) | RIPK1ALDH1A1CYP2C19LMNASMN1; SMN2 |
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-111153827-A | Preparation method and application of benzylaminated omega-3 unsaturated fatty acid | 广东药科大学 | 2020-05-15 | — | — | CN | disclosed |