Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | FURIN | P09958 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.46 |
| ▸ | TUBB | P07437 | 2/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3080171 | 0.96 | CA1 (0.53) | CA1CA2THRATHRBALDH1A1 | |
| SCHEMBL3073193 | 0.89 | ALDH1A1 (0.50) | CA1CA2THRATHRBALDH1A1 | |
| SCHEMBL3090027 | 0.79 | FURIN (0.51) | ALDH1A1HDAC1HDAC2L3MBTL1FURIN | |
| SCHEMBL13094296 | 0.78 | HDAC1 (0.58) | CA1CA2THRATHRBALDH1A1 | |
| SCHEMBL4734629 | 0.78 | FURIN (0.49) | ALDH1A1HDAC1HDAC2FURINPOLB | |
| SCHEMBL4734590 | 0.77 | MMP9 (0.40) | — | |
| SCHEMBL11457343 | 0.76 | CA1 (0.62) | CA1CA2THRATHRBALDH1A1 | |
| SCHEMBL9127420 | 0.76 | CA1 (0.62) | CA1CA2THRATHRBALDH1A1 | |
| SCHEMBL8426304 | 0.75 | ITGB3 (0.62) | ALDH1A1HDAC1HDAC2GAAL3MBTL1 | |
| SCHEMBL9510547 | 0.74 | ENPP2 (0.71) | CA1CA2THRATHRBALDH1A1 |
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-2008070831-A2 | BISBENZAMIDINES AND BISBENZAMIDOXIMES FOR THE TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS | XAVIER UNIVERSITY OF LOUISIANA (US) | 2008-06-12 | — | — | WO | disclosed |