Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13153206 | 0.74 | TSHR (0.32) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13151703 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL27447206 | 0.65 | LMNA (0.33) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15598988 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7772072 | 0.63 | LMNA (0.33) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28022141 | 0.62 | — | — | |
| SCHEMBL28437848 | 0.61 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL34607 | 0.61 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Bromide SCHEMBL25396186 | 0.59 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 | |
| Water SCHEMBL29258026 | 0.59 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2CYP3A4CYP2C9CYP2C19 |
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-103030656-A | Synthetic method of proteasome inhibitor bortezomib and analogs | UNIV BEIJING | 2013-04-10 | — | — | CN | disclosed |