Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 4/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23836805 | 0.85 | GRIN1 (0.47) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL24334255 | 0.82 | GRIN1 (0.50) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL24334227 | 0.81 | OPRM1 (0.45) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL24334250 | 0.80 | GRIN1 (0.44) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL26232267 | 0.78 | GRIN1 (0.47) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL13361592 | 0.78 | GRIN1 (0.47) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL24334254 | 0.78 | GRIN1 (0.44) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL24334252 | 0.77 | GRIN1 (0.43) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL24334256 | 0.76 | GRIN1 (0.43) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 | |
| SCHEMBL24334251 | 0.76 | GRIN1 (0.42) | GRIN1GRIN2ATSHRCYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3090760-A1 | COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLOGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY | CONCERT PHARMACEUTICALS, INC. (US) | 2016-11-09 | — | — | EP | disclosed |