Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20204601 | 0.77 | CYP2D6 (0.39) | CYP2C19CYP2D6CYP1A2HTR1DMAOB | |
| SCHEMBL22861164 | 0.74 | POLB (0.40) | CYP2C19CYP2D6CYP1A2CYP2C9HTR1D | |
| SCHEMBL15784834 | 0.73 | HTR1D (0.49) | CYP2C19CYP2D6CYP1A2CYP2C9HTR1D | |
| SCHEMBL20208501 | 0.72 | HCAR2 (0.35) | — | |
| SCHEMBL20204600 | 0.71 | MAOB (0.37) | HTR1DMAOB | |
| SCHEMBL20204827 | 0.71 | CYP2D6 (0.43) | CYP2C19CYP2D6CYP1A2CYP2C9HTR1D | |
| SCHEMBL16122330 | 0.71 | POLB (0.52) | CYP2C19CYP2D6HTR1DPOLBTSHR | |
| SCHEMBL172331 | 0.68 | SLC6A2 (0.31) | — | |
| SCHEMBL14513494 | 0.68 | SLC6A2 (0.31) | — | |
| SCHEMBL24019545 | 0.68 | HTR2A (0.42) | CYP2C19CYP2D6CYP1A2MAOBHTR2A |
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-2018098208-A1 | NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |