Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 11/20 | 0.44 |
| ▸ | MAOA | P21397 | 10/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL20548047 | 0.73 | GRIN2D (0.40) | MAOBMAOAGRIN2DGRIN3BGRIN1 | |
| SCHEMBL5695494 | 0.71 | OPRM1 (0.36) | MEN1CYP1A2POLBTSHRAPEX1 | |
| SCHEMBL4991848 | 0.69 | TRPA1 (0.36) | SLC6A4 | |
| SCHEMBL6472118 | 0.67 | AKR1C1 (0.38) | POLBSLC6A4 | |
| Trifluoroacetic Acid SCHEMBL15667519 | 0.65 | MAOA (0.36) | MAOBMAOAPOLBSLC6A4 | |
| SCHEMBL22061275 | 0.64 | KIF11 (0.42) | SLC6A4 | |
| SCHEMBL17143183 | 0.61 | MEN1 (0.40) | MAOBMAOAGRIN2DGRIN3BGRIN1 | |
| SCHEMBL13685092 | 0.61 | MAOA (0.42) | MAOBMAOAMEN1CYP1A2POLB | |
| SCHEMBL17022919 | 0.61 | SLC6A4 (0.39) | MAOBMAOAGRIN2DGRIN3BGRIN1 | |
| SCHEMBL19717526 | 0.61 | MAOB (0.62) | MAOBMAOAPNMTTAAR1 |
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-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |