Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 6/20 | 0.49 |
| ▸ | CA1 | P00915 | 6/20 | 0.49 |
| ▸ | CA2 | P00918 | 6/20 | 0.49 |
| ▸ | CA9 | Q16790 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28325008 | 0.90 | CA12 (0.57) | TDP1CA12CA1CA2CA9 | |
| SCHEMBL1302570 | 0.84 | TDP1 (0.43) | TDP1IDO1CA12CA1CA2 | |
| SCHEMBL27148633 | 0.84 | TDP1 (0.51) | TDP1IDO1CA12CA1CA2 | |
| SCHEMBL30206955 | 0.83 | TDP1 (0.55) | TDP1IDO1CA12CA1CA2 | |
| SCHEMBL20500779 | 0.82 | TDP1 (0.59) | TDP1IDO1CA12CA1CA2 | |
| SCHEMBL19928735 | 0.82 | TDP1 (0.69) | TDP1IDO1CA12CA1CA2 | |
| SCHEMBL27922752 | 0.81 | ALDH1A1 (0.41) | GAAEPHX1ACHE | |
| SCHEMBL28903507 | 0.81 | TDP1 (0.53) | TDP1IDO1CA12CA1CA2 | |
| SCHEMBL2279724 | 0.81 | TDP1 (0.53) | TDP1IDO1CA12CA1CA2 | |
| SCHEMBL11888006 | 0.81 | TDP1 (0.53) | TDP1IDO1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110520409-A | Compounds and compositions for intracellular delivery of therapeutic agents | MODERNATX INC | 2019-11-29 | — | — | CN | disclosed |
| CN-107922394-A | 3 tetrazole radical benzene, 1,2 disulfonic acid amide derivative as metal beta lactamase restrainer | 默沙东公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-104245671-B | nitrogen-containing heterocyclic compound or salt thereof | 富士胶片株式会社 | 2017-03-22 | — | — | CN | disclosed |