Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28216405 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL28216909 | 1.00 | ALDH1A1 (0.39) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL28476809 | 0.80 | ALDH1A1 (0.37) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL28476812 | 0.80 | ALDH1A1 (0.37) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL28478319 | 0.80 | ALDH1A1 (0.37) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL18263202 | 0.75 | CA2 (0.49) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL15022229 | 0.66 | CA1 (0.47) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL4456811 | 0.65 | CA1 (0.50) | ALDH1A1HSP90AA1CA1CA2CA9 | |
| SCHEMBL2287963 | 0.65 | MAOA (0.48) | ALDH1A1HSP90AA1ALPLALPICA1 | |
| SCHEMBL30865768 | 0.65 | CA1 (0.53) | ALDH1A1HSP90AA1CA1CA2CA9 |
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-108069833-B | Benzocyclo-ring derivatives, preparation method and medical application thereof | 四川海思科制药有限公司 | 2020-11-06 | — | — | CN | disclosed |
| CN-108069833-A | Benzo tetracyclic and preparation method thereof and application in medicine | 四川海思科制药有限公司 | 2018-05-25 | — | — | CN | disclosed |