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 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL41506 | 0.81 | LCK (0.50) | ALDH1A1KDM4EHSD17B10LCKKDR | |
| SCHEMBL29509257 | 0.81 | LCK (0.50) | ALDH1A1KDM4EHSD17B10LCKKDR | |
| Hydrochloric Acid SCHEMBL3468306 | 0.79 | LCK (0.49) | SMN1; SMN2ALDH1A1KDM4EHSD17B10LCK | |
| Hydrochloric Acid SCHEMBL29486326 | 0.79 | LCK (0.49) | SMN1; SMN2ALDH1A1KDM4EHSD17B10LCK | |
| Hydrochloric Acid SCHEMBL28230152 | 0.79 | LCK (0.49) | SMN1; SMN2ALDH1A1KDM4EHSD17B10LCK | |
| SCHEMBL29065907 | 0.78 | TSHR (0.59) | TSHRSMN1; SMN2ALDH1A1KDM4ENT5E | |
| SCHEMBL3897450 | 0.77 | TSHR (0.70) | TSHRSMN1; SMN2ALDH1A1KDM4ENT5E | |
| Hydrochloric Acid SCHEMBL17237902 | 0.77 | LCK (0.47) | TSHRSMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL28209915 | 0.76 | ADORA3 (0.40) | SMN1; SMN2ALDH1A1HSD17B10LCKKDR | |
| Diaminopyrimidine SCHEMBL2745437 | 0.74 | TSHR (0.53) | TSHRSMN1; SMN2ALDH1A1KDM4ENT5E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1370553-A2 | RHO-KINASE INHIBITORS | Bayer Corporation (US) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002076976-A2 | RHO-KINASE INHIBITORS | BAYER CORPORATION (US) | 2002-10-03 | — | — | WO | disclosed |