Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29244668 | 0.83 | CA1 (0.53) | CA1CA2CA12CA9CA14 | |
| SCHEMBL12326116 | 0.83 | CA1 (0.53) | CA1CA2CA12CA9CA14 | |
| SCHEMBL27358541 | 0.83 | CA1 (0.53) | CA1CA2CA12CA9CA14 | |
| SCHEMBL4333209 | 0.82 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL28599280 | 0.82 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL1516780 | 0.82 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL13876418 | 0.82 | CA1 (0.57) | CA1CA2CA12CA9CA14 | |
| SCHEMBL6521208 | 0.81 | CA1 (0.55) | CA1CA2CA12CA9CA14 | |
| SCHEMBL14487959 | 0.80 | CA1 (0.59) | CA1CA2CA12CA9CA14 | |
| SCHEMBL84424 | 0.80 | CA1 (0.59) | CA1CA2CA12CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3508486-A1 | ARYL-2,2'-TANDEM BISTHIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute Materia Medica, Chinese Academy Of Sciences (CN) | 2019-07-10 | — | — | EP | disclosed |