Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.36 |
| ▸ | CA12 | O43570 | 5/20 | 0.36 |
| ▸ | CA1 | P00915 | 5/20 | 0.36 |
| ▸ | CA9 | Q16790 | 5/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1806635 | 0.76 | ALDH1A1 (0.41) | CA2CA12CA1CA9CA14 | |
| Ammonia Solution, Strong SCHEMBL28243882 | 0.75 | TDP1 (0.39) | CA2CA12CA1CA9CA14 | |
| SCHEMBL27775996 | 0.74 | NPY1R (0.43) | CA2CA12CA1CA9CA14 | |
| SCHEMBL9586858 | 0.73 | ALDH1A1 (0.46) | CA2CA12CA1CA9CA14 | |
| SCHEMBL28143427 | 0.73 | ALDH1A1 (0.37) | CA2CA12CA1CA9CA14 | |
| SCHEMBL28173873 | 0.70 | ALDH1A1 (0.42) | CA2CA12CA1CA9CA14 | |
| SCHEMBL10972983 | 0.69 | CA2 (0.47) | CA2CA12CA1CA9CA14 | |
| SCHEMBL27412106 | 0.69 | CA2 (0.44) | CA2CA12CA1CA9CA14 | |
| SCHEMBL5155171 | 0.69 | TDP1 (0.46) | CA2CA12CA1CA9CA14 | |
| SCHEMBL29155769 | 0.69 | ALDH1A1 (0.41) | CA2CA12CA1CA9CA14 |
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-1987037-A2 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007097470-A2 | FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-30 | — | — | WO | disclosed |