Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 12/20 | 0.60 |
| ▸ | GRIN3B | O60391 | 12/20 | 0.60 |
| ▸ | GRIN1 | Q05586 | 12/20 | 0.60 |
| ▸ | GRIN2A | Q12879 | 12/20 | 0.60 |
| ▸ | GRIN2B | Q13224 | 12/20 | 0.60 |
| ▸ | GRIN2C | Q14957 | 12/20 | 0.60 |
| ▸ | GRIN3A | Q8TCU5 | 12/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.60 |
| ▸ | ADRA1D | P25100 | 6/20 | 0.60 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.60 |
| ▸ | ADRA1B | P35368 | 6/20 | 0.60 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19998631 | 0.85 | GRIN2D (0.52) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL14256879 | 0.77 | CYP1A2 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL17191285 | 0.76 | GRIN2D (0.79) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL6440928 | 0.76 | GRIN2D (1.00) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL16713384 | 0.75 | GRIN2D (0.79) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL19121825 | 0.72 | CNR2 (0.50) | ALDH1A1HPGDSMN1; SMN2MAPTNPC1 | |
| SCHEMBL3128685 | 0.70 | CYP1A2 (0.42) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3675238 | 0.70 | MEN1 (0.53) | ALDH1A1HPGDSMN1; SMN2MAPTNPC1 | |
| SCHEMBL23019651 | 0.69 | GRIN2D (0.51) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL20004113 | 0.69 | GRIN2D (0.51) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2164840-A2 | MODULATORS OF CFTR | Vertex Pharmaceuticals Incorporated (US) | 2010-03-24 | — | — | EP | disclosed |
| WO-2008141119-A2 | MODULATORS OF CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-20 | — | — | WO | disclosed |