Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28984896 | 0.85 | GSK3B (0.52) | NPC1RAB9AALDH1A1GAATDP1 | |
| SCHEMBL13857466 | 0.83 | GSK3B (0.55) | NPC1RAB9AKDM4EPOLBLMNA | |
| SCHEMBL34473284 | 0.83 | MEN1 (0.38) | NPC1RAB9AKDM4EPOLBAPEX1 | |
| SCHEMBL14466949 | 0.83 | GSK3B (0.52) | NPC1RAB9AALDH1A1KDM4EPOLB | |
| SCHEMBL13817452 | 0.83 | NPC1 (0.50) | NPC1RAB9APTPN1MAPTHPGD | |
| SCHEMBL13525672 | 0.82 | KMT2A (0.50) | NPC1RAB9APTPN1ALDH1A1KDM4E | |
| SCHEMBL30368172 | 0.80 | CA12 (0.46) | KDM4EPOLBALPIGAAALPG | |
| SCHEMBL17311212 | 0.80 | CA12 (0.46) | KDM4EPOLBALPIGAAALPG | |
| SCHEMBL16322250 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAL3MBTL1MAPT | |
| SCHEMBL14922097 | 0.79 | HDAC3 (0.59) | NPC1RAB9AALDH1A1APEX1RECQL |
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-104788436-B | Tetrahydrochysene benzfuran -4- ketoxime base triazole medicines, preparation method and applications | 三峡大学 | 2018-05-01 | — | — | CN | claimed |
| CN-104788436-A | Tetrahydrobenzofuran-4-ketoximetriazole medicine, and preparation method and application thereof | UNIV CHINA THREE GORGES CTGU | 2015-07-22 | — | — | CN | claimed |
| CN-104788436-B | Tetrahydrochysene benzfuran -4- ketoxime base triazole medicines, preparation method and applications | 三峡大学 | 2018-05-01 | — | — | CN | disclosed |
| CN-104788436-A | Tetrahydrobenzofuran-4-ketoximetriazole medicine, and preparation method and application thereof | UNIV CHINA THREE GORGES CTGU | 2015-07-22 | — | — | CN | disclosed |