Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26249056 | 0.79 | CA1 (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL5484876 | 0.77 | ALDH1A1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL19019754 | 0.76 | CA1 (0.42) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16335309 | 0.73 | CYP17A1 (0.45) | CA1CA2CA12CA7CA9 | |
| SCHEMBL931283 | 0.73 | CA1 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL343939 | 0.73 | CA1 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL3071819 | 0.73 | CA1 (0.55) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10431546 | 0.73 | ADRA2C (0.43) | CYP3A4CYP2D6CYP2C9ALOX15CYP2C19 | |
| SCHEMBL24465176 | 0.72 | ESR2 (0.70) | CA1CA2CA12CA7CA9 | |
| SCHEMBL834546 | 0.72 | CA1 (0.61) | CA1CA2CA12CA7CA9 |
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-2006069096-A1 | SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | PHARMACYCLICS, INC. (US) | 2006-06-29 | — | — | WO | disclosed |