Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22583106 | 1.00 | GRM5 (0.37) | GRM5CHEK1ACHEWDR5NOTUM | |
| SCHEMBL7923072 | 0.77 | NPC1 (0.39) | GRM5WDR5NOTUMNPC1TP53 | |
| SCHEMBL25044274 | 0.75 | GRM5 (0.36) | GRM5WDR5NOTUMNPC1TP53 | |
| SCHEMBL28707742 | 0.74 | CYP11B2 (0.39) | NOTUMALDH1A1 | |
| SCHEMBL23975571 | 0.72 | CHRNB2 (0.41) | GRM5WDR5NOTUMTP53CYP3A4 | |
| SCHEMBL22583411 | 0.72 | AR (0.39) | CHEK1ACHEAR | |
| SCHEMBL22583421 | 0.71 | EGFR (0.39) | CHEK1ACHENOTUM | |
| SCHEMBL22583405 | 0.70 | GPR119 (0.46) | DRD2 | |
| SCHEMBL29435478 | 0.70 | GPR119 (0.46) | DRD2 | |
| SCHEMBL23349376 | 0.70 | PDE10A (0.35) | GRM5WDR5NOTUMNPC1TP53 |
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-3959207-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES | Celgene Corporation (US) | 2022-03-02 | — | — | EP | disclosed |