Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ACP1 | P24666 | 4/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24732778 | 1.00 | ALDH1A1 (0.44) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24732724 | 0.99 | MAOB (0.43) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29809002 | 0.99 | MAOB (0.43) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29809059 | 0.95 | ALDH1A1 (0.46) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24732824 | 0.95 | ALDH1A1 (0.46) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL24733475 | 0.91 | MC4R (0.45) | ALDH1A1ACP1TLR7TP53ALOX15 | |
| SCHEMBL29809234 | 0.91 | MC4R (0.45) | ALDH1A1ACP1TLR7TP53ALOX15 | |
| SCHEMBL24733037 | 0.91 | MEN1 (0.48) | ALDH1A1MEN1KMT2AACP1L3MBTL1 | |
| SCHEMBL29809183 | 0.91 | MEN1 (0.48) | ALDH1A1MEN1KMT2AACP1L3MBTL1 | |
| SCHEMBL24732880 | 0.89 | TRAP1 (0.43) | ALDH1A1MEN1CYP1A2CYP2D6CYP2C9 |
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-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |