Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HPN | P05981 | 1/20 | 0.38 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.37 |
| ▸ | GLRB | P48167 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28008966 | 0.85 | CA2 (0.41) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL396833 | 0.77 | CA2 (0.52) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL9721890 | 0.74 | CA2 (0.48) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL18272111 | 0.73 | GABRA1 (0.50) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL11651323 | 0.72 | CA2 (0.64) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL6282235 | 0.72 | CA1 (0.44) | CA2CA1ALDH1A1CYP1A2HIF1A | |
| Hydrazine SCHEMBL28274152 | 0.72 | CYP2C9 (0.54) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| Hydrazine SCHEMBL28274139 | 0.72 | CYP2C9 (0.54) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL23772061 | 0.71 | POLB (0.33) | CA2CA1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL6768184 | 0.71 | CYP1A2 (0.57) | CA2CA1SMN1; SMN2ALDH1A1POLB |
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-2502911-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2489659-A1 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-08-22 | — | — | EP | disclosed |