Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 2/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 2/20 | 0.30 |
| ▸ | NOS1 | P29475 | 2/20 | 0.30 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL22037259 | 0.84 | HTR7 (0.47) | ALDH1A1DHFRGABRA5KDM4EAOC3 | |
| SCHEMBL22037227 | 0.79 | HCRTR1 (0.35) | HCRTR1HCRTR2KDM4EHTR7GRM5 | |
| SCHEMBL22038117 | 0.78 | CNR1 (0.35) | HTR7 | |
| SCHEMBL20195515 | 0.76 | NPC1 (0.38) | ALDH1A1DHFRSYKHTR7 | |
| SCHEMBL20195561 | 0.72 | GABRA5 (0.39) | ALDH1A1GABRA5KDM4EAOC3GRM5 | |
| SCHEMBL18831567 | 0.72 | AOC3 (0.40) | ALDH1A1KDM4EAOC3HTR7 | |
| SCHEMBL18831517 | 0.72 | ESR1 (0.38) | ALDH1A1KDM4ENOS3NOS1 | |
| SCHEMBL22038783 | 0.72 | HTR7 (0.47) | GABRA5HTR7 | |
| SCHEMBL20195408 | 0.72 | CYP11B1 (0.33) | GABRA5HTR7GRM5 | |
| SCHEMBL22563761 | 0.71 | ABCB11 (0.35) | ALDH1A1ADORA2ASYK |
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-3029035-B1 | TETRAZOLINONE COMPOUND, AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-05-30 | — | — | EP | disclosed |