Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17020282 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL7358475 | 1.00 | SLC6A2 (0.40) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL19053610 | 0.98 | SLC6A2 (0.42) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL13081192 | 0.98 | SLC6A2 (0.42) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL16131621 | 0.98 | SLC6A2 (0.42) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL7322895 | 0.96 | CHRM2 (0.43) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL7322889 | 0.96 | CHRM2 (0.43) | SLC6A2SLC6A4CHRM2CHRM4CHRM3 | |
| SCHEMBL229333 | 0.88 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CYP3A4 | |
| SCHEMBL229332 | 0.88 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CYP3A4 | |
| SCHEMBL13185434 | 0.88 | CHRM2 (0.42) | CHRM2CHRM4CHRM3CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5380849-A | Process for optically pure decahydroisoqiunolines | MERCK & CO., INC. (US) | 1995-01-10 | — | — | US | disclosed |
| WO-1994011345-A1 | PROCESS FOR OPTICALLY PURE DECAHYDROISOQUINOLINES | MERCK & CO., INC. (US) | 1994-05-26 | — | — | WO | disclosed |