Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP9 | P14780 | 1/20 | 0.54 |
| ▸ | MMP8 | P22894 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28897944 | 1.00 | CA1 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6925091 | 0.84 | CA1 (0.56) | CA1CA2MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL3361054 | 0.82 | CA1 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL3361061 | 0.82 | CA1 (0.54) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17793726 | 0.82 | LMNA (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL1925462 | 0.79 | POLB (0.49) | ALDH1A1CA12 | |
| SCHEMBL1926174 | 0.79 | POLB (0.49) | ALDH1A1CA12 | |
| SCHEMBL25353051 | 0.79 | CA1 (0.52) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7827745 | 0.78 | MMP1 (0.62) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL18114379 | 0.78 | MMP1 (0.62) | CA1CA2MMP1MMP2MMP9 |
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-111606970-A | 1, 5-diazabicyclo [5,3,0] deca-alkanone amino acid derivative and preparation method and application thereof | 中国药科大学 | 2020-09-01 | — | — | CN | disclosed |