Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | PREP | P48147 | 2/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14092284 | 0.84 | ALDH1A1 (0.55) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL28085540 | 0.84 | ALDH1A1 (0.55) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL24974571 | 0.84 | HRH3 (0.49) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL25597428 | 0.82 | CYP3A4 (0.58) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL7495571 | 0.82 | CYP3A4 (0.58) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL8874259 | 0.80 | CYP3A4 (0.57) | CYP2C19CYP3A4CYP2C9ALDH1A1SIGMAR1 | |
| SCHEMBL24835914 | 0.79 | CYP2C19 (0.49) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL25089937 | 0.79 | ALDH1A1 (0.49) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL25090106 | 0.79 | CHRM2 (0.47) | CYP2C19CYP3A4CYP2C9SMN1; SMN2NPC1 | |
| SCHEMBL10369008 | 0.78 | SMN1; SMN2 (0.64) | CYP2C19CYP2C9SMN1; SMN2NPC1RAB9A |
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-2017210685-A1 | PYRADAZINONE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME | An2H Discovery Limited (IE) | 2017-12-07 | — | — | WO | disclosed |