Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28494634 | 0.89 | CYP1A2 (0.46) | AGXTALOX5KDM4EMAPK1TDP1 | |
| SCHEMBL28506988 | 0.89 | AGXT (0.43) | AGXTALOX5PTPN7KDM4EMAPK1 | |
| SCHEMBL28494757 | 0.89 | AGXT (0.43) | AGXTALOX5PTPN7KDM4EMAPK1 | |
| SCHEMBL28492588 | 0.89 | AGXT (0.43) | AGXTALOX5PTPN7KDM4EMAPK1 | |
| SCHEMBL28904495 | 0.86 | CYP1A2 (0.46) | AGXTPPARGALDH1A1KMT2A | |
| SCHEMBL28502062 | 0.81 | AGXT (0.43) | AGXTALOX5PTPN7KDM4EMAPK1 | |
| SCHEMBL28494629 | 0.80 | MEN1 (0.43) | AGXTALOX5KDM4EMAPK1TDP1 | |
| SCHEMBL28508566 | 0.79 | AGXT (0.37) | AGXTKDM4EMAPK1TDP1PPARG | |
| SCHEMBL17188581 | 0.74 | AGXT (0.61) | AGXTALOX5PTPN7KDM4EMAPK1 | |
| SCHEMBL19685926 | 0.73 | SCN4A (0.68) | AGXTALOX5PTPN7KDM4EMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108424343-B | Allene thiocyanide derivative and synthetic method thereof | 华东师范大学 | 2020-11-20 | — | — | CN | disclosed |