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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | DNM1L | O00429 | 1/20 | 0.39 |
| ▸ | ILK | Q13418 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2728413 | 0.85 | HTR2B (0.48) | CHEK1HTR2BACHECYP2C9SCN9A | |
| Hydrochloric Acid SCHEMBL31122121 | 0.84 | CHEK1 (0.47) | CHEK1HTR2BACHECYP2C9SCN9A | |
| Succinic Acid SCHEMBL31122141 | 0.81 | CHEK1 (0.43) | CHEK1HTR2BACHECYP2C9SCN9A | |
| Phosphoric Acid SCHEMBL31122117 | 0.80 | CHEK1 (0.47) | CHEK1HTR2BACHECYP2C9SCN9A | |
| Formic Acid SCHEMBL31708359 | 0.80 | CHEK1 (0.44) | CHEK1HTR2BACHECYP2C9SCN9A | |
| Cadaverine Tartrate SCHEMBL31122127 | 0.80 | CHEK1 (0.42) | CHEK1HTR2BACHECYP2C9SCN9A | |
| Cadaverine Tartrate SCHEMBL31122154 | 0.80 | CHEK1 (0.42) | CHEK1HTR2BACHECYP2C9SCN9A | |
| SCHEMBL3952859 | 0.76 | ALDH1A1 (0.54) | CHEK1ACHEHPGDSHDAC1HDAC8 | |
| Citric Acid SCHEMBL31122150 | 0.75 | CHEK1 (0.41) | CHEK1HTR2BACHECYP2C9SCN9A | |
| SCHEMBL168519 | 0.74 | HTR2B (0.66) | HTR2BACHEGAAMAPTCYP2C9 |
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-118510771-A | IRAK inhibitors for the treatment of conditions associated with cytokine release associated with respiratory viral infection | 里格尔药品股份有限公司 | 2024-08-16 | — | — | CN | disclosed |