Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30949914 | 0.81 | LMNA (0.43) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| SCHEMBL30949966 | 0.80 | LMNA (0.42) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| SCHEMBL7953183 | 0.80 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| SCHEMBL21544332 | 0.76 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL31152319 | 0.76 | LMNA (0.41) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| SCHEMBL31146891 | 0.75 | LMNA (0.49) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| SCHEMBL21544137 | 0.74 | ALDH1A1 (0.46) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| SCHEMBL30950103 | 0.74 | ALDH1A1 (0.39) | ALDH1A1LMNAMAPTCYP1A2CYP2D6 | |
| SCHEMBL21630920 | 0.73 | NOS1 (0.46) | ALDH1A1LMNAMAPTNOS1CYP1A2 | |
| SCHEMBL30462060 | 0.73 | LMNA (0.37) | ALDH1A1LMNAMAPTNOS1CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117736210-A | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| 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 |
| WO-2023165570-A1 | CYCLOALKYL OR HETEROCYCLYL SUBSTITUTED HETEROARYL COMPOUND, AND COMPOSITION AND USE THEREOF | 深圳市塔吉瑞生物医药有限公司 | 2023-09-07 | — | — | WO | 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 |