Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL14424239 | 0.85 | CA1 (0.48) | CA1CA2CLK4ROCK1ALDH1A1 | |
| SCHEMBL210701 | 0.84 | CLK4 (0.50) | CA1CA2CLK4ROCK1ALDH1A1 | |
| SCHEMBL10272800 | 0.80 | CA1 (0.51) | CA1CA2ALDH1A1LOXL2VNN1 | |
| SCHEMBL1064735 | 0.79 | CA1 (0.60) | CA1CA2ALDH1A1LOXL2VNN1 | |
| SCHEMBL209824 | 0.77 | CLK4 (0.74) | CLK4ALDH1A1USP2CYP1A2CYP3A4 | |
| SCHEMBL210753 | 0.77 | ALDH1A1 (0.53) | CA1CA2CLK4ROCK1ALDH1A1 | |
| SCHEMBL15761765 | 0.77 | CXCR4 (0.66) | CA1CA2ALDH1A1TSHRPKM | |
| SCHEMBL210650 | 0.76 | ACHE (0.67) | ALDH1A1TSHR | |
| SCHEMBL17618077 | 0.76 | RAB9A (0.58) | CA1CA2LOXL2DRD2TBXA2R | |
| SCHEMBL16264679 | 0.76 | ALDH1A1 (0.62) | CA1CA2ALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8088805-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2012-01-03 | — | — | US | disclosed |