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 | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 5/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4730563 | 0.96 | NOS1 (0.46) | NOS1TSHRSMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL4730988 | 0.90 | NOS1 (0.44) | NOS1TSHRSMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL4732541 | 0.87 | NOS1 (0.43) | NOS1TSHRSMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL4731351 | 0.82 | TSHR (0.41) | NOS1TSHRSMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL2348826 | 0.77 | ALDH1A1 (0.52) | NOS1TSHRSMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL10568436 | 0.75 | ALDH1A1 (0.53) | NOS1TSHRSMN1; SMN2CYP2D6MAPK1 | |
| SCHEMBL28470128 | 0.74 | IDO1 (0.47) | NOS1MAPK1IDO1NOS3NOS2 | |
| Guanidine SCHEMBL7765288 | 0.72 | TSHR (0.76) | TSHRSMN1; SMN2CYP2D6MAPK1ALDH1A1 | |
| SCHEMBL27662424 | 0.70 | TSHR (0.73) | TSHRSMN1; SMN2CYP2D6MAPK1ALDH1A1 | |
| Trifluoroacetamide SCHEMBL27921493 | 0.69 | TSHR (0.64) | TSHRSMN1; SMN2CYP2D6MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008044033-A1 | AMIDE DERIVATIVES | ASTRAZENECA AB (SE) | 2008-04-17 | — | — | WO | disclosed |