Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28826431 | 0.81 | ALDH1A1 (0.54) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.80 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| SCHEMBL30271267 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27667926 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27667923 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL7746905 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL29504635 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21440358 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27647572 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 | |
| SCHEMBL27647420 | 0.78 | CA1 (0.79) | CA1CA2CA12CA7CA9 |
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-105254577-B | A kind of pair of triazole substituted benzene diformic ester compound, preparation method and purposes | 常州大学 | 2017-08-01 | — | — | CN | disclosed |
| CN-105254577-A | Bis-triazole-substituted terephthalate compound and its preparation method and use | UNIV CHANGZHOU | 2016-01-20 | — | — | CN | disclosed |