Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | DTYMK | P23919 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4581662 | 0.86 | TSHR (0.53) | TSHRL3MBTL1TDP1CA1CA2 | |
| SCHEMBL29193642 | 0.84 | CA1 (0.46) | TSHRL3MBTL1TDP1CA1CA2 | |
| SCHEMBL2299143 | 0.83 | TSHR (0.53) | TSHRL3MBTL1TDP1CA1CA2 | |
| SCHEMBL29634343 | 0.83 | TSHR (0.53) | TSHRL3MBTL1TDP1PKMDTYMK | |
| SCHEMBL11756245 | 0.83 | TSHR (0.53) | TSHRL3MBTL1TDP1PKMDTYMK | |
| SCHEMBL5153655 | 0.80 | TSHR (0.50) | TSHRL3MBTL1TDP1CA1CA2 | |
| SCHEMBL4907793 | 0.79 | TSHR (0.53) | TSHRL3MBTL1TDP1CA1CA2 | |
| SCHEMBL4907783 | 0.79 | TSHR (0.53) | TSHRL3MBTL1TDP1CA1CA2 | |
| SCHEMBL6727081 | 0.79 | TSHR (0.56) | TSHRL3MBTL1TDP1DTYMKCDC25B | |
| SCHEMBL8462725 | 0.79 | CA1 (0.41) | TSHRL3MBTL1TDP1CA1CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105153053-B | A kind of 3 together with 1,2,4 triazole of dinitro methyl synthetic method | 西安近代化学研究所 | 2018-04-20 | — | — | CN | claimed |
| CN-105669574-B | 3 fluorine are together with the triazole compounds of dinitro methyl 1,2,4 | 西安近代化学研究所 | 2017-11-03 | — | — | CN | claimed |
| CN-105669574-A | 3-fluorodinitromethyl-1, 2, 4-triazole compound | 西安近代化学研究所 | 2016-06-15 | — | — | CN | claimed |
| CN-105153053-A | 3-gem methyl dinitro-1,2,4-triazole compound | XIAN MODERN CHEMISTRY RES INST | 2015-12-16 | — | — | CN | claimed |
| CN-105153053-B | A kind of 3 together with 1,2,4 triazole of dinitro methyl synthetic method | 西安近代化学研究所 | 2018-04-20 | — | — | CN | disclosed |
| CN-105669574-B | 3 fluorine are together with the triazole compounds of dinitro methyl 1,2,4 | 西安近代化学研究所 | 2017-11-03 | — | — | CN | disclosed |
| CN-105669574-A | 3-fluorodinitromethyl-1, 2, 4-triazole compound | 西安近代化学研究所 | 2016-06-15 | — | — | CN | disclosed |
| CN-105153053-A | 3-gem methyl dinitro-1,2,4-triazole compound | XIAN MODERN CHEMISTRY RES INST | 2015-12-16 | — | — | CN | disclosed |