Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11370864 | 0.84 | NPSR1 (0.44) | ITGA4ITGB7POLBNPSR1HTT | |
| SCHEMBL16811751 | 0.83 | ITGA4 (0.47) | ITGA4ITGB7POLBNPSR1HTT | |
| SCHEMBL18875081 | 0.77 | L3MBTL1 (0.45) | ITGA4ITGB7NPSR1L3MBTL1KMT2A | |
| SCHEMBL4883371 | 0.77 | ITGA4 (0.45) | ITGA4ITGB7POLBNPSR1HTT | |
| SCHEMBL10727471 | 0.77 | ITGA4 (0.45) | ITGA4ITGB7POLBNPSR1HTT | |
| SCHEMBL27996628 | 0.77 | KMT2A (0.55) | POLBNPSR1HTTL3MBTL1KMT2A | |
| SCHEMBL13656103 | 0.77 | POLB (0.49) | POLBNPSR1HTTL3MBTL1KMT2A | |
| SCHEMBL6475391 | 0.77 | POLB (0.49) | POLBNPSR1HTTL3MBTL1KMT2A | |
| SCHEMBL28545301 | 0.76 | ACHE (0.46) | NPSR1HTTL3MBTL1KMT2ACA12 | |
| SCHEMBL7288497 | 0.75 | CA1 (0.50) | POLBNPSR1HTTL3MBTL1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107434789-B | Benzotriazole derivatives, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2021-04-13 | — | — | CN | disclosed |