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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.37 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27854183 | 0.88 | LMNA (0.42) | TSHRSMN1; SMN2LMNACYP2D6BRD4 | |
| SCHEMBL27836159 | 0.88 | LMNA (0.36) | TSHRSMN1; SMN2LMNACYP2D6CYP3A4 | |
| SCHEMBL27854188 | 0.88 | TSHR (0.41) | TSHRSMN1; SMN2LMNACYP2C19ALDH1A1 | |
| SCHEMBL27854184 | 0.85 | SMN1; SMN2 (0.39) | TSHRSMN1; SMN2CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL27854292 | 0.82 | MAPK1 (0.37) | TSHRSMN1; SMN2LMNAALDH1A1KMT2A | |
| SCHEMBL27854189 | 0.79 | TSHR (0.40) | TSHRSMN1; SMN2LMNACYP2D6CYP3A4 | |
| SCHEMBL27791901 | 0.79 | GSK3A (0.37) | TSHRSMN1; SMN2LMNACYP2D6CYP2C9 | |
| SCHEMBL5969762 | 0.76 | ADRA1D (0.38) | TSHRCYP2D6ALDH1A1KMT2A | |
| SCHEMBL16385837 | 0.75 | ALDH1A1 (0.43) | TSHRSMN1; SMN2LMNACYP2D6CYP3A4 | |
| Bromide SCHEMBL29099290 | 0.74 | MAPT (0.41) | SMN1; SMN2LMNAALDH1A1KMT2A |
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-102014854-A | Bleaching agent having cationic acyl pyridinium derivatives, co-bleaching activators, and hydrogen peroxide | HENKEL AG & CO KGAA | 2011-04-13 | — | — | CN | disclosed |