Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30996206 | 0.83 | CA2 (0.44) | GABRA1GABRB2CA2KIF11ALDH1A1 | |
| SCHEMBL3089174 | 0.82 | GABRA1 (0.43) | GABRA1GABRB2CA2ALDH1A1TSHR | |
| SCHEMBL16990195 | 0.76 | CA2 (0.39) | GABRA1GABRB2CA2KIF11ALDH1A1 | |
| SCHEMBL27699133 | 0.75 | CA2 (0.38) | GABRA1GABRB2CA2KIF11ALDH1A1 | |
| SCHEMBL20034068 | 0.73 | GABRA1 (0.50) | GABRA1GABRB2CA2KIF11ALDH1A1 | |
| SCHEMBL22829805 | 0.72 | GABRA1 (0.45) | GABRA1GABRB2CA2KIF11ALDH1A1 | |
| SCHEMBL1927917 | 0.71 | GABRA1 (0.58) | GABRA1GABRB2CA2KIF11ALDH1A1 | |
| SCHEMBL3632065 | 0.71 | ACHE (0.43) | CA2ALDH1A1TSHRTDP1 | |
| SCHEMBL3135046 | 0.70 | KIF11 (0.33) | CA2KIF11ALDH1A1TSHRTDP1 | |
| SCHEMBL8609073 | 0.69 | HPGD (0.42) | CA2ALDH1A1TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008121861-A2 | PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-10-09 | — | — | WO | disclosed |