Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28054671 | 0.93 | KDM4E (0.49) | ALDH1A1KDM4ECA1CA2TDP1 | |
| Methyl Benzoate SCHEMBL27988280 | 0.91 | TSHR (0.63) | ALDH1A1KDM4ECA1CA2TDP1 | |
| SCHEMBL28054601 | 0.81 | CA1 (0.56) | ALDH1A1CA1CA2TDP1CA12 | |
| Terephthalic Acid SCHEMBL27990724 | 0.79 | TSHR (0.50) | ALDH1A1KDM4ECA1CA2CA12 | |
| Terephthalic Acid SCHEMBL28044877 | 0.77 | TSHR (0.48) | ALDH1A1KDM4ECA1CA2CA12 | |
| Terephthalic Acid SCHEMBL28005997 | 0.77 | TSHR (0.48) | ALDH1A1KDM4ECA1CA2CA12 | |
| Terephthalic Acid SCHEMBL28013542 | 0.77 | TSHR (0.48) | ALDH1A1KDM4ECA1CA2CA12 | |
| SCHEMBL23600 | 0.77 | CA1 (0.80) | ALDH1A1KDM4ECA1CA2TDP1 | |
| SCHEMBL28993944 | 0.77 | CA1 (0.80) | ALDH1A1KDM4ECA1CA2TDP1 | |
| SCHEMBL28993277 | 0.75 | CA1 (0.76) | ALDH1A1KDM4ECA1CA2TDP1 |
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 |