Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL304340 | 0.91 | CYP1A2 (0.41) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| SCHEMBL34463528 | 0.91 | CYP1A2 (0.41) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| SCHEMBL31030170 | 0.91 | CYP1A2 (0.41) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| SCHEMBL4752220 | 0.90 | CYP1A2 (0.40) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| Calcium SCHEMBL31296027 | 0.90 | CYP1A2 (0.40) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| SCHEMBL2455933 | 0.90 | CYP1A2 (0.40) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| Water SCHEMBL28838553 | 0.90 | CYP1A2 (0.40) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| SCHEMBL4309579 | 0.90 | ALDH1A1 (0.42) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| SCHEMBL2455936 | 0.90 | ALDH1A1 (0.42) | ALDH1A1MAPK1CYP1A2ERBB2FYN | |
| SCHEMBL3690633 | 0.80 | CYP2D6 (0.43) | ALDH1A1MAPK1CYP1A2ERBB2FYN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104962280-A | Calixpyridine-pyrenetetrasulfonid acid tetrasodium salt supramolecular fluorescence sensor, and its application in ATP hydrolysis reaction | UNIV TIANJIN NORMAL | 2015-10-07 | — | — | CN | claimed |
| CN-106153589-A | Cup pyridine Selective recognition method to acidic amino acid in neutral physiological ph aqueous solution | 天津师范大学 | 2016-11-23 | — | — | CN | disclosed |
| CN-104962280-A | Calixpyridine-pyrenetetrasulfonid acid tetrasodium salt supramolecular fluorescence sensor, and its application in ATP hydrolysis reaction | UNIV TIANJIN NORMAL | 2015-10-07 | — | — | CN | disclosed |