Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL28526294 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP2C9CYP2C19THRB | |
| SCHEMBL18766178 | 0.74 | SDCBP (0.42) | ALDH1A1THRB | |
| SCHEMBL29676845 | 0.74 | SDCBP (0.42) | ALDH1A1THRB | |
| SCHEMBL18794101 | 0.74 | THRB (0.38) | ALDH1A1THRBLMNA | |
| SCHEMBL18766179 | 0.74 | SDCBP (0.42) | ALDH1A1THRB | |
| SCHEMBL18794099 | 0.74 | SDCBP (0.42) | ALDH1A1THRB | |
| SCHEMBL24243830 | 0.72 | BUB1 (0.32) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL18794000 | 0.70 | GABRA1 (0.37) | — | |
| SCHEMBL18765895 | 0.70 | APP (0.43) | THRBPHGDHAPP | |
| SCHEMBL18765893 | 0.70 | APP (0.43) | THRBPHGDHAPP |
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-112457326-B | Aromatic heterocyclic lactam compound, preparation method and application | 上海凌达生物医药有限公司 | 2022-02-15 | — | — | CN | disclosed |
| CN-112457326-A | Aromatic heterocyclic lactam compound, preparation method and application | 上海凌达生物医药有限公司 | 2021-03-09 | — | — | CN | disclosed |