Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2829064 | 0.89 | GRM5 (0.41) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL2826802 | 0.87 | RAB9A (0.43) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL2830798 | 0.85 | GRM5 (0.44) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL2826277 | 0.84 | NPC1 (0.40) | NPC1RAB9AKDM4ESMN1; SMN2HTT | |
| SCHEMBL2828969 | 0.83 | GRM5 (0.52) | GRM5SMARCA2SMARCA4 | |
| SCHEMBL2829129 | 0.82 | GRM5 (0.41) | NPC1RAB9ASMN1; SMN2GRM5CYP3A4 | |
| SCHEMBL2827578 | 0.82 | GRM5 (0.50) | NPC1RAB9AKDM4ESMN1; SMN2GAA | |
| SCHEMBL2828434 | 0.81 | MAPT (0.50) | NPC1RAB9AKDM4ESMN1; SMN2GAA | |
| SCHEMBL2828219 | 0.79 | SMARCA2 (0.49) | NPC1RAB9AKDM4ESMN1; SMN2GAA | |
| SCHEMBL2829012 | 0.78 | GRM5 (0.41) | NPC1RAB9AKDM4EHTTGRM5 |
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-1844044-B1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-21 | — | — | EP | claimed |