Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 9/20 | 0.46 |
| ▸ | MMP9 | P14780 | 7/20 | 0.46 |
| ▸ | ADAMTS4 | O75173 | 4/20 | 0.46 |
| ▸ | MMP3 | P08254 | 3/20 | 0.46 |
| ▸ | MMP13 | P45452 | 3/20 | 0.46 |
| ▸ | MMP1 | P03956 | 2/20 | 0.46 |
| ▸ | MMP7 | P09237 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HPN | P05981 | 2/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28587826 | 0.87 | NHERF1 (0.44) | CYP2C9ALDH1A1MMP2MMP9MMP3 | |
| SCHEMBL28585258 | 0.87 | EGFR (0.44) | CYP2C19CYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL4059194 | 0.86 | ALDH1A1 (0.49) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL28579685 | 0.80 | ALDH1A1 (0.57) | CYP2C19CYP1A2CYP2C9ALDH1A1MMP2 | |
| SCHEMBL9611222 | 0.79 | ALDH1A1 (0.56) | CYP2C19CYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL9611224 | 0.79 | ALDH1A1 (0.56) | CYP2C19CYP1A2CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL28580040 | 0.79 | SMN1; SMN2 (0.46) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL28571500 | 0.77 | CNR1 (0.49) | ALDH1A1MMP2MMP9MMP3MMP13 | |
| SCHEMBL28581698 | 0.74 | CNR1 (0.49) | ALDH1A1MMP2MMP9MMP3MMP13 | |
| SCHEMBL28577756 | 0.74 | MMP2 (0.47) | CYP2C9ALDH1A1MMP2MMP9MMP3 |
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-110066231-B | Aza beta-substituted Morita-Baylis-Hillman type compound and synthetic method thereof | 江苏师范大学 | 2021-06-25 | — | — | CN | disclosed |