Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10659718 | 0.87 | CA1 (0.50) | NFE2L2L3MBTL1TDP1CA12CA1 | |
| SCHEMBL8220456 | 0.83 | NFE2L2 (0.44) | NFE2L2L3MBTL1TDP1CA12CA1 | |
| SCHEMBL3102853 | 0.80 | L3MBTL1 (0.44) | NFE2L2L3MBTL1TDP1CA12CA1 | |
| SCHEMBL9952870 | 0.79 | AR (0.44) | NFE2L2CA12CA1CA2CA7 | |
| SCHEMBL16952213 | 0.79 | CA1 (0.42) | NFE2L2CA12CA1CA2CA7 | |
| SCHEMBL11143737 | 0.79 | CA1 (0.42) | NFE2L2L3MBTL1TDP1CA12CA1 | |
| SCHEMBL22024139 | 0.79 | L3MBTL1 (0.43) | NFE2L2L3MBTL1TDP1CA12CA1 | |
| SCHEMBL25021539 | 0.78 | SMN1; SMN2 (0.41) | NFE2L2TDP1CA12CA1CA2 | |
| SCHEMBL16952210 | 0.78 | CA1 (0.41) | NFE2L2L3MBTL1TDP1CA12CA1 | |
| SCHEMBL19949269 | 0.78 | CA12 (0.41) | NFE2L2L3MBTL1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117715892-A | Quaternary ammonium cation substituted compounds for the treatment of bacterial infections | 豪夫迈·罗氏有限公司 | 2024-03-15 | — | — | CN | disclosed |
| EP-0174131-A2 | Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them | FISONS plc (GB) | 1986-03-12 | — | — | EP | disclosed |