Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20195459 | 0.87 | ADORA2A (0.38) | GABRA5SMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL20195455 | 0.85 | NPC1 (0.38) | GABRA5SMN1; SMN2NPC1RAB9ATSHR | |
| SCHEMBL20195398 | 0.85 | RXFP1 (0.36) | GABRA5NPC1RAB9AGRM5KDM4E | |
| SCHEMBL22037199 | 0.84 | GABRA5 (0.33) | GABRA5SGMS2KDM4EALDH1A1SLC22A12 | |
| SCHEMBL22037708 | 0.84 | HTR7 (0.42) | CYP2D6CYP2C19SLC22A12 | |
| SCHEMBL22038650 | 0.83 | RXRA (0.34) | GRM5SLC22A12 | |
| SCHEMBL22037209 | 0.83 | NR1H4 (0.32) | GRM5SGMS2CYP2D6CYP2C19SLC22A12 | |
| SCHEMBL22563875 | 0.83 | SLC22A12 (0.32) | SMN1; SMN2SLC22A12 | |
| SCHEMBL22038684 | 0.82 | ALDH1A1 (0.35) | GABRA5SMN1; SMN2NPC1RAB9AMAPK1 | |
| SCHEMBL22563870 | 0.81 | FFAR1 (0.32) | CYP2D6CYP2C19 |
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 |