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 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28063391 | 0.88 | SMN1; SMN2 (0.39) | TSHRSMN1; SMN2CYP2D6MAPK1POLB | |
| SCHEMBL28063352 | 0.86 | TSHR (0.38) | TSHRSMN1; SMN2CYP2D6MAPK1POLB | |
| SCHEMBL28063362 | 0.85 | SMN1; SMN2 (0.37) | TSHRSMN1; SMN2POLBHSD11B1CYP2C19 | |
| SCHEMBL28063551 | 0.84 | SMN1; SMN2 (0.43) | TSHRSMN1; SMN2CYP2D6MAPK1POLB | |
| SCHEMBL28063560 | 0.84 | TSHR (0.38) | TSHRSMN1; SMN2CYP2D6POLBCYP2C19 | |
| SCHEMBL28063586 | 0.84 | POLB (0.40) | TSHRSMN1; SMN2CYP2D6MAPK1POLB | |
| SCHEMBL28063484 | 0.83 | TSHR (0.37) | TSHRSMN1; SMN2CYP2D6MAPK1POLB | |
| SCHEMBL28063571 | 0.81 | TSHR (0.40) | TSHRSMN1; SMN2CYP2D6POLBHSD11B1 | |
| SCHEMBL28063528 | 0.81 | PDCD1 (0.39) | TSHRSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28063561 | 0.80 | SMN1; SMN2 (0.39) | TSHRSMN1; SMN2CYP2D6MAPK1POLB |
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-105531277-B | Pyrrolo-imidazole ring derivatives and their use in medicine | 四川海思科制药有限公司 | 2018-03-02 | — | — | CN | disclosed |
| CN-105531277-A | Pyrrolo-imidazole ring derivatives and their use in medicine | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-04-27 | — | — | CN | disclosed |