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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL28063560 | 0.88 | TSHR (0.38) | TSHRSMN1; SMN2KMT2AMEN1CHRM2 | |
| SCHEMBL28063559 | 0.87 | TSHR (0.37) | TSHRSMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL28063391 | 0.85 | SMN1; SMN2 (0.39) | TSHRSMN1; SMN2PSIP1KMT2AMEN1 | |
| SCHEMBL28063543 | 0.84 | POLB (0.40) | TSHRSMN1; SMN2PSIP1KMT2AALDH1A1 | |
| SCHEMBL28063367 | 0.82 | CHRM2 (0.38) | TSHRSMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL28063406 | 0.79 | POLB (0.38) | TSHRSMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL28063484 | 0.78 | TSHR (0.37) | TSHRSMN1; SMN2KMT2AMEN1MAPK1 | |
| SCHEMBL28063586 | 0.77 | POLB (0.40) | TSHRSMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL28063352 | 0.77 | TSHR (0.38) | TSHRSMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL28063374 | 0.75 | TSHR (0.41) | TSHRSMN1; SMN2ALDH1A1MAPK1POLB |
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 |