Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | PYGB | P11216 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6538422 | 1.00 | AKR1B1 (0.46) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL175438 | 1.00 | AKR1B1 (0.46) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL9757541 | 0.89 | AKR1B1 (0.45) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL9757745 | 0.84 | AKR1B1 (0.43) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL3810831 | 0.83 | CA1 (0.50) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL9616492 | 0.83 | CA1 (0.50) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL18642492 | 0.83 | CA1 (0.50) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL7253811 | 0.83 | CA1 (0.50) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL6934741 | 0.83 | CA1 (0.50) | AKR1B1CA1CA2CA9PYGB | |
| SCHEMBL5189446 | 0.83 | AKR1B1 (0.53) | AKR1B1CA1CA2CA9PYGB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014047427-A2 | SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS | VANDERBILT UNIVERSITY (US) | 2014-03-27 | — | — | WO | disclosed |
| EP-2509990-A1 | NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011069688-A1 | NOVEL PHOSPH(ON)ATE- AND SULF(ON)ATE-BASED PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL AGENTS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2011-06-16 | — | — | WO | disclosed |