Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11143559 | 0.80 | TSHR (0.50) | KCNN4TSHRKCNA3DRD2DRD4 | |
| SCHEMBL2392141 | 0.79 | KCNN4 (0.53) | KCNN4TSHRKCNA3DRD2DRD4 | |
| SCHEMBL11487418 | 0.75 | KIF11 (0.42) | TSHRCYP19A1CYP1A2MEN1GLA | |
| SCHEMBL27536834 | 0.74 | NOTUM (0.39) | MAPTAR | |
| Hydrochloric Acid SCHEMBL27736129 | 0.73 | KIF11 (0.41) | TSHRCYP19A1CYP1A2MEN1GLA | |
| SCHEMBL6337202 | 0.71 | KCNN4 (0.59) | KCNN4TSHRKCNA3DRD2DRD4 | |
| SCHEMBL11654993 | 0.71 | KCNN4 (0.59) | KCNN4TSHRKCNA3DRD2DRD4 | |
| SCHEMBL3239466 | 0.71 | KCNN4 (0.59) | KCNN4TSHRKCNA3DRD2DRD4 | |
| SCHEMBL29354141 | 0.71 | KCNN4 (0.59) | KCNN4TSHRKCNA3DRD2DRD4 | |
| SCHEMBL26214 | 0.71 | KCNN4 (0.59) | KCNN4TSHRKCNA3DRD2DRD4 |
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-113292593-B | Alcohol derivative-oriented aromatic ring remote hydrocarbon activation method | 广东工业大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-113292593-A | Alcohol derivative-oriented aromatic ring remote hydrocarbon activation method | 广东工业大学 | 2021-08-24 | — | — | CN | disclosed |