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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PARL | Q9H300 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4337155 | 1.00 | TSHR (0.50) | TSHRSMN1; SMN2POLBCYP2D6CYP1A2 | |
| SCHEMBL476991 | 0.94 | CYP1A2 (0.41) | TSHRSMN1; SMN2CYP1A2KDM4ELMNA | |
| SCHEMBL4343843 | 0.85 | CYP2D6 (0.47) | TSHRSMN1; SMN2CYP2D6CYP1A2KDM4E | |
| SCHEMBL4335282 | 0.85 | CYP2D6 (0.47) | TSHRSMN1; SMN2CYP2D6CYP1A2KDM4E | |
| Glycerin SCHEMBL28224084 | 0.83 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6KDM4E | |
| Glycerin SCHEMBL28513363 | 0.83 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6KDM4E | |
| Glycerin SCHEMBL2057406 | 0.83 | TSHR (0.67) | TSHRSMN1; SMN2POLBCYP2D6KDM4E | |
| SCHEMBL28099707 | 0.79 | PSIP1 (0.42) | TSHRSMN1; SMN2POLBCYP1A2LMNA | |
| SCHEMBL6155388 | 0.78 | MMP12 (0.41) | TSHRSMN1; SMN2CYP1A2CYP2C19GAA | |
| SCHEMBL4621606 | 0.78 | STAT3 (0.43) | CYP2D6CYP1A2KDM4ECYP2C19GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-20090117314-A1 | PROCESS FOR THE PREPARATION OF POLYCARBONATE BY THE MELT TRANSESTERIFICATION METHOD | BAYER MATERIALSCIENCE AG (DE) | 2009-05-07 | — | — | US | disclosed |