Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9171552 | 0.72 | SLC6A3 (0.43) | SLC6A3SLC6A2DRD3CYP2D6CHRM2 | |
| SCHEMBL9171546 | 0.72 | SLC6A3 (0.43) | SLC6A3SLC6A2DRD3CYP2D6CHRM2 | |
| SCHEMBL9171879 | 0.72 | SLC6A3 (0.43) | SLC6A3SLC6A2DRD3CYP2D6CHRM2 | |
| SCHEMBL29198884 | 0.71 | SLC6A2 (0.59) | SLC6A3SLC6A2DRD3CYP2D6CHRM2 | |
| SCHEMBL28249658 | 0.69 | LMNA (0.36) | LMNA | |
| SCHEMBL28249635 | 0.69 | PTGS1 (0.38) | CYP2D6LMNACYP1A2 | |
| SCHEMBL28249634 | 0.69 | PTGS1 (0.38) | CYP2D6LMNACYP1A2 | |
| SCHEMBL28249656 | 0.69 | LMNA (0.36) | LMNA | |
| SCHEMBL28250331 | 0.68 | IDO1 (0.37) | LMNA | |
| SCHEMBL28250330 | 0.68 | IDO1 (0.37) | LMNA |
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-2017180248-A1 | ENANTIOENRICHED VIRIDICATUMTOXIN B ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-10-19 | — | — | WO | disclosed |