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 | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 5/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8369128 | 0.80 | OPRM1 (0.43) | OPRM1OPRK1CYP3A4CYP2D6OPRL1 | |
| Hydrochloric Acid SCHEMBL8366796 | 0.74 | OPRM1 (0.49) | OPRM1SLC22A1SLC6A4ADRA1AOPRD1 | |
| SCHEMBL8366955 | 0.74 | LMNA (0.40) | OPRM1OPRD1CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL15681094 | 0.73 | OPRM1 (0.60) | OPRM1OPRK1KMT2AOPRL1GAA | |
| SCHEMBL7749154 | 0.73 | OPRM1 (0.41) | OPRM1SLC6A4CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16864106 | 0.70 | LMNA (0.72) | OPRM1SLC22A1SLC6A4ADRA1AOPRD1 | |
| SCHEMBL7749157 | 0.68 | CYP3A4 (0.41) | CYP2C19CYP3A4CYP2D6CYP2C9MEN1 | |
| SCHEMBL25516914 | 0.67 | OPRL1 (0.46) | OPRM1SLC6A4OPRK1OPRL1L3MBTL1 | |
| Ethyl Acetate SCHEMBL4278294 | 0.66 | TSHR (0.57) | CYP2C19MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL27699362 | 0.66 | OPRL1 (0.54) | OPRM1OPRK1MEN1KMT2AOPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5869663-A | INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1999-02-09 | — | — | US | disclosed |