Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.85 |
| ▸ | MGLL | Q99685 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.52 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.52 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7344145 | 0.92 | ENPP2 (1.00) | ENPP2MGLLCA1CA2CYP3A4 | |
| SCHEMBL5140 | 0.92 | ENPP2 (1.00) | ENPP2MGLLCA1CA2CYP3A4 | |
| Methyl Alcohol SCHEMBL28712606 | 0.90 | ENPP2 (0.96) | ENPP2MGLLCA1CA2CYP3A4 | |
| SCHEMBL20262887 | 0.87 | ENPP2 (0.65) | ENPP2MGLLCA1CA2HDAC4 | |
| SCHEMBL27263012 | 0.85 | ENPP2 (0.67) | ENPP2MGLLCA1CA2HDAC4 | |
| Acetonitrile SCHEMBL28133848 | 0.84 | ENPP2 (0.82) | ENPP2CA1CA2CYP3A4NLRP3 | |
| SCHEMBL4974692 | 0.82 | ENPP2 (0.79) | ENPP2CA1CA2NLRP3ACHE | |
| Bicarbonate SCHEMBL28687639 | 0.82 | ENPP2 (0.79) | ENPP2CA1CA2MAOBNLRP3 | |
| SCHEMBL196765 | 0.82 | CYP3A4 (0.73) | CA1CA2HDAC4HDAC8CYP1A1 | |
| SCHEMBL29489425 | 0.82 | CYP3A4 (0.73) | CA1CA2HDAC4HDAC8CYP1A1 |
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-104478903-B | Anthracene-ring bitriazol-cupric tetrafluoroborate complex capable of catalyzing 3-methoxy phenylboronic acid and preparation method thereof | 天津师范大学 | 2017-01-18 | — | — | CN | claimed |
| CN-104447810-B | Triazole-copper triflate title complex with catalysis 3-methoxyphenylboronic acid and preparation method thereof | TIANJIN NORMAL UNIVERSITY (CN) | 2016-04-20 | — | — | CN | claimed |