Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | CCR2 | P41597 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.41 |
| ▸ | OGFRL1 | Q5TC84 | 4/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9816566 | 0.95 | ALDH1A1 (0.54) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL30194405 | 0.94 | DAO (0.57) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL23732401 | 0.87 | DAO (0.50) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL28331999 | 0.86 | PLA2G10 (0.48) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL30995135 | 0.84 | ALDH1A1 (0.46) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL30995185 | 0.84 | MCL1 (0.46) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL30995241 | 0.80 | CYP11B2 (0.48) | ALDH1A1TSHRCCR2POLBPLA2G10 | |
| SCHEMBL30995189 | 0.80 | CCR2 (0.47) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL28330578 | 0.79 | PLA2G10 (0.47) | ALDH1A1TSHRDAOMCL1CCR2 | |
| SCHEMBL30995157 | 0.79 | NOD2 (0.53) | ALDH1A1OPRM1OPRK1OGFRL1OPRD1 |
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-118530160-A | Aromatic heterocyclic compound, preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-08-23 | — | — | CN | disclosed |