Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.70 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.70 |
| ▸ | MAOA | P21397 | 5/20 | 0.70 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2475452 | 0.90 | PTPN1 (0.59) | MAOBPTPN1MAOAMIFPOLB | |
| SCHEMBL127924 | 0.82 | PTPN1 (1.00) | MAOBPTPN1MAOAPOLBPTPN2 | |
| SCHEMBL29952282 | 0.82 | PTPN1 (1.00) | MAOBPTPN1MAOAPOLBPTPN2 | |
| SCHEMBL547865 | 0.76 | MAOA (0.50) | MAOBPTPN1MAOAALDH1A1MAPT | |
| SCHEMBL96940 | 0.76 | PTPN1 (0.75) | MAOBPTPN1MAOAPOLBPTPN2 | |
| SCHEMBL30842883 | 0.76 | PTPN1 (0.75) | MAOBPTPN1MAOAPOLBPTPN2 | |
| SCHEMBL9387217 | 0.76 | MIF (0.53) | MAOBPTPN1MAOAMIFNISCH | |
| SCHEMBL72994 | 0.76 | MIF (0.65) | MAOBPTPN1MAOAMIFNISCH | |
| SCHEMBL13268057 | 0.76 | KDM4E (0.68) | MAOBPTPN1MAOAMIFNISCH | |
| SCHEMBL2854132 | 0.76 | MIF (0.53) | MAOBPTPN1MAOAMIFNISCH |
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-106518885-B | 1,3- diazacyclos and quaternized pyridinium salt compound and its midbody compound, preparation method and application | 云南大学 | 2018-10-16 | — | — | CN | claimed |
| CN-106518885-A | 1,3-diazacyclopyridine quaternary ammonium salt compound, intermediate compound thereof as well as preparation methods and applications of compounds | 云南大学 | 2017-03-22 | — | — | CN | claimed |
| CN-106518885-B | 1,3- diazacyclos and quaternized pyridinium salt compound and its midbody compound, preparation method and application | 云南大学 | 2018-10-16 | — | — | CN | disclosed |
| CN-106518885-A | 1,3-diazacyclopyridine quaternary ammonium salt compound, intermediate compound thereof as well as preparation methods and applications of compounds | 云南大学 | 2017-03-22 | — | — | CN | disclosed |