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 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 5/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL30706270 | 0.72 | CYP2D6 (0.39) | TSHRSMN1; SMN2POLBMAPK1LMNA | |
| SCHEMBL25511865 | 0.71 | PIK3CD (0.41) | SMN1; SMN2HTR6HTR2CPOLBLMNA | |
| SCHEMBL24507078 | 0.70 | HTR2C (0.64) | SMN1; SMN2HTR2CLMNANPC1RAB9A | |
| SCHEMBL28037299 | 0.70 | SMN1; SMN2 (0.47) | TSHRSMN1; SMN2HTR6HTR2CPOLB | |
| SCHEMBL31652215 | 0.67 | HTR2C (0.34) | SMN1; SMN2HTR2CLMNAALDH1A1NPC1 | |
| SCHEMBL28063551 | 0.67 | SMN1; SMN2 (0.43) | TSHRSMN1; SMN2HTR6POLBMAPK1 | |
| SCHEMBL6736149 | 0.65 | SMN1; SMN2 (0.70) | TSHRSMN1; SMN2HTR6POLBLMNA | |
| SCHEMBL27464245 | 0.65 | TSHR (0.76) | TSHRSMN1; SMN2HTR6POLBLMNA | |
| SCHEMBL3719208 | 0.65 | TSHR (0.76) | TSHRSMN1; SMN2HTR6POLBLMNA | |
| SCHEMBL2638204 | 0.65 | TSHR (0.84) | TSHRSMN1; SMN2HTR6POLBLMNA |
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-105037367-A | Amino six-membered ring derivative and application thereof in medicines | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-11-11 | — | — | CN | disclosed |