Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | KIF11 | P52732 | 4/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1453178 | 0.78 | — | — | |
| Tert-Butanol SCHEMBL27557881 | 0.74 | ESR1 (0.44) | ESR1ESR2KIF11RXRARXRB | |
| Boric Acid SCHEMBL1736251 | 0.73 | ESR1 (0.50) | CA1CA2MGLLESR1ESR2 | |
| SCHEMBL28333342 | 0.73 | KIF11 (0.42) | CA1CA2MGLLESR1ESR2 | |
| Boric Acid SCHEMBL28549126 | 0.70 | ESR1 (0.47) | CA1CA2MGLLESR1ESR2 | |
| Boric Acid SCHEMBL2687058 | 0.70 | ESR1 (0.47) | CA1CA2MGLLESR1ESR2 | |
| Boric Acid SCHEMBL29196924 | 0.69 | CA1 (0.39) | CA1CA2MGLLESR1ESR2 | |
| Methyl Alcohol SCHEMBL7982816 | 0.69 | — | — | |
| Chloromethane SCHEMBL28108220 | 0.69 | — | — | |
| Tert-Butylamine SCHEMBL28561026 | 0.67 | CYP3A4 (0.44) | CA2ESR1ESR2KIF11ALDH1A1 |
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-109293637-B | Diazine isomer blue light material | 南京邮电大学 | 2021-02-19 | — | — | CN | disclosed |