Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPRA | P18433 | 1/20 | 0.41 |
| ▸ | PTPRB | P23467 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30503782 | 0.98 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HIF1ARECQLCYP2C9 | |
| SCHEMBL2678813 | 0.86 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2HIF1ARECQLCYP2C9 | |
| SCHEMBL27457092 | 0.82 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HIF1ARECQLCYP2C9 | |
| SCHEMBL28536864 | 0.81 | CES1 (0.51) | ALDH1A1SMN1; SMN2HIF1ARECQLPTPN2 | |
| SCHEMBL4824469 | 0.80 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2HIF1ARECQLCYP2C9 | |
| SCHEMBL27488524 | 0.79 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2HIF1ARECQLCYP2C9 | |
| SCHEMBL12141665 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HIF1ARECQLCYP2C9 | |
| SCHEMBL28007827 | 0.78 | TSHR (0.40) | ALDH1A1SMN1; SMN2HIF1ARECQLPTPN2 | |
| SCHEMBL27953856 | 0.76 | PPARA (0.44) | ALDH1A1SMN1; SMN2HIF1ARECQLCYP3A4 | |
| SCHEMBL617935 | 0.76 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HIF1ACYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023098815-A1 | AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF | 上海栖臻医药科技有限公司 | 2023-06-08 | — | — | WO | disclosed |