Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | HPN | P05981 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | MMP7 | P09237 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 6/20 | 0.41 |
| ▸ | MMP9 | P14780 | 5/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 0.41 |
| ▸ | MMP14 | P50281 | 2/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28579685 | 0.91 | ALDH1A1 (0.57) | PLAUHPNALDH1A1SMN1; SMN2ADAMTS4 | |
| SCHEMBL8998137 | 0.72 | BACE1 (0.50) | PLAUHPNALDH1A1ADAMTS4POLB | |
| SCHEMBL14544528 | 0.72 | ALDH1A1 (0.67) | PLAUHPNALDH1A1ADAMTS4CYP1A2 | |
| SCHEMBL28572871 | 0.71 | CYP2C19 (0.51) | PLAUHPNALDH1A1ADAMTS4CYP1A2 | |
| SCHEMBL8146178 | 0.71 | ALDH1A1 (0.63) | ALDH1A1ADAMTS4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8146180 | 0.71 | ALDH1A1 (0.63) | ALDH1A1ADAMTS4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8707457 | 0.71 | ALDH1A1 (0.63) | ALDH1A1ADAMTS4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14519844 | 0.70 | ALDH1A1 (0.68) | PLAUHPNALDH1A1ADAMTS4CYP1A2 | |
| Hydrochloric Acid SCHEMBL7346258 | 0.69 | BACE1 (0.48) | SMN1; SMN2MMP2MMP9ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL7346261 | 0.69 | BACE1 (0.48) | SMN1; SMN2MMP2MMP9ITGB3ITGA2B |
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-A | A kind of azepine β-substitution Morita-Baylis-Hillman type compound and its synthetic method | 江苏师范大学 | 2019-07-30 | — | — | CN | disclosed |