Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.46 |
| ▸ | CA2 | P00918 | 8/20 | 0.46 |
| ▸ | CA9 | Q16790 | 7/20 | 0.46 |
| ▸ | CA5A | P35218 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5804740 | 0.81 | CA1 (0.48) | CA1CA2CA9CA5ACYP2C19 | |
| SCHEMBL7076847 | 0.75 | CA1 (0.52) | CA1CA2CA9CA5ACYP2C19 | |
| SCHEMBL6238670 | 0.73 | CA1 (0.42) | CA1CA2CA9CA5ACYP2C19 | |
| Sulfuric Acid SCHEMBL29415620 | 0.72 | ALDH1A1 (0.50) | CA1CA2CA9CYP2C19MAPK1 | |
| SCHEMBL17258983 | 0.71 | CA1 (0.56) | CA1CA2CA9CA5ACYP2C19 | |
| SCHEMBL4204972 | 0.71 | CA2 (0.56) | CA1CA2CA9CA5ACYP2C19 | |
| SCHEMBL7515025 | 0.71 | CA4 (0.43) | CA1CA2CA9SOS1MAPK1 | |
| SCHEMBL1356940 | 0.70 | MAPK1 (0.44) | CYP2C19MAPK1MAPTKMT2ATAAR1 | |
| SCHEMBL3034923 | 0.70 | MAPK1 (0.44) | MAPK1MAPTKMT2ATAAR1ALDH1A1 | |
| SCHEMBL17545281 | 0.70 | CA1 (0.54) | CA1CA2CA9CA5ACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-9115114-B2 | Bromodomain inhibitors | Quanticel Pharmaceuticals, Inc. (US) | 2015-08-25 | — | — | US | disclosed |
| US-9034900-B2 | Bromodomain inhibitors | Quanticel Pharmaceuticals, Inc. (US) | 2015-05-19 | — | — | US | disclosed |