Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29405362 | 0.98 | TSHR (0.48) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL26989 | 0.98 | TSHR (0.48) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL29809066 | 0.95 | TSHR (0.40) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL30627058 | 0.95 | TSHR (0.46) | TSHRACHECYP19A1DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL5058971 | 0.95 | TSHR (0.46) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL3991228 | 0.95 | TSHR (0.46) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL30075870 | 0.95 | TSHR (0.46) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL29811187 | 0.95 | TSHR (0.46) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL830033 | 0.95 | TSHR (0.46) | TSHRACHECYP19A1DRD2DRD3 | |
| SCHEMBL29245416 | 0.95 | TSHR (0.46) | TSHRACHECYP19A1DRD2DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114835687-B | AhR inhibitors | 北京华森英诺生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-115093400-B | AhR inhibitor, application and preparation method thereof | 北京华森英诺生物科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-114835687-A | AhR inhibitors | 重庆华森制药股份有限公司 | 2022-08-02 | — | — | CN | disclosed |