Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL831487 | 0.82 | CA12 (0.79) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28180867 | 0.81 | ALDH1A1 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL28083188 | 0.80 | ALDH1A1 (0.62) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL830181 | 0.80 | CA12 (0.74) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1970447 | 0.78 | KMT2A (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20435637 | 0.78 | CA12 (0.68) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL1046782 | 0.74 | MAOA (0.54) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL830939 | 0.72 | CA12 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL20435617 | 0.72 | LMNA (0.67) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL21032933 | 0.72 | PKM (0.67) | CA12CA1CA2CA9ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105693673-B | Containing 2,4 dinitrobenzenesulfonyl coumarin kind compounds and preparation method and application | 华东理工大学 | 2017-11-14 | — | — | CN | claimed |
| CN-105693673-A | 2,4-dinitrobenzenesulfonyl-containing coumarin compound and preparation method and application thereof | 华东理工大学 | 2016-06-22 | — | — | CN | claimed |
| CN-105693673-B | Containing 2,4 dinitrobenzenesulfonyl coumarin kind compounds and preparation method and application | 华东理工大学 | 2017-11-14 | — | — | CN | disclosed |
| CN-105693673-A | 2,4-dinitrobenzenesulfonyl-containing coumarin compound and preparation method and application thereof | 华东理工大学 | 2016-06-22 | — | — | CN | disclosed |