Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL9875339 | 0.89 | KEAP1 (0.52) | TSHRSMN1; SMN2KEAP1NFE2L2L3MBTL1 | |
| Sulfuric Acid SCHEMBL9324944 | 0.89 | HSP90AA1 (0.43) | TSHRSMN1; SMN2KEAP1NFE2L2L3MBTL1 | |
| SCHEMBL9873784 | 0.87 | TAS2R14 (0.44) | TSHRSMN1; SMN2KEAP1NFE2L2L3MBTL1 | |
| SCHEMBL9743711 | 0.85 | NPSR1 (0.46) | TSHRSMN1; SMN2L3MBTL1POLBALDH1A1 | |
| SCHEMBL124582 | 0.85 | NPSR1 (0.46) | TSHRSMN1; SMN2L3MBTL1POLBALDH1A1 | |
| Benzene SCHEMBL28328871 | 0.84 | TSHR (0.43) | TSHRSMN1; SMN2KEAP1NFE2L2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9194071 | 0.83 | NPSR1 (0.44) | TSHRSMN1; SMN2L3MBTL1POLBALDH1A1 | |
| Ethylene SCHEMBL973759 | 0.81 | NPSR1 (0.43) | TSHRSMN1; SMN2L3MBTL1POLBALDH1A1 | |
| SCHEMBL9874039 | 0.80 | SNCA (0.48) | KEAP1NFE2L2ALDH1A1KMT2A | |
| SCHEMBL9193674 | 0.80 | TSHR (0.42) | TSHRSMN1; SMN2KEAP1NFE2L2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991009020-A2 | PRODUCTION OF 5-(4'-HYDROXYPHENYL)HYDANTOIN AND D-p-HYDROXYPHENYLGLYCINE FROM 4-HYDROXYACETOPHENONE | HOECHST CELANESE CORPORATION (US) | 1991-06-27 | — | — | WO | disclosed |