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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.30 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28063445 | 0.84 | SMN1; SMN2 (0.44) | SMN1; SMN2TSHRALDH1A1L3MBTL1HDAC6 | |
| SCHEMBL28063555 | 0.79 | TSHR (0.42) | SMN1; SMN2TSHRALDH1A1HPGDHDAC6 | |
| SCHEMBL28063591 | 0.78 | TSHR (0.41) | SMN1; SMN2TSHRALDH1A1HPGDL3MBTL1 | |
| SCHEMBL28063602 | 0.75 | TUBB4A (0.40) | SMN1; SMN2TSHRALDH1A1HPGDPOLB | |
| SCHEMBL28063374 | 0.73 | TSHR (0.41) | SMN1; SMN2TSHRALDH1A1HPGDL3MBTL1 | |
| SCHEMBL28063585 | 0.72 | SMN1; SMN2 (0.47) | SMN1; SMN2TSHRALDH1A1HDAC6POLB | |
| SCHEMBL28199063 | 0.67 | TSHR (0.84) | SMN1; SMN2TSHRALDH1A1POLBCYP2D6 | |
| Dimethyl Sulfone SCHEMBL28006518 | 0.67 | TSHR (0.84) | SMN1; SMN2TSHRALDH1A1POLBCYP2D6 | |
| SCHEMBL2638204 | 0.67 | TSHR (0.84) | SMN1; SMN2TSHRALDH1A1POLBCYP2D6 | |
| SCHEMBL8374928 | 0.67 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1POLBCYP2D6 |
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 |