Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28557857 | 0.86 | KDM4E (0.43) | ALDH1A1MAPTRAB9ANPC1TSHR | |
| SCHEMBL28548225 | 0.86 | ALDH1A1 (0.43) | ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL28550422 | 0.83 | KDM4E (0.46) | ALDH1A1MAPTRAB9ANPC1MAPK1 | |
| SCHEMBL28560242 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPTTSHRSMN1; SMN2MEN1 | |
| SCHEMBL28554405 | 0.79 | KDM4E (0.45) | ALDH1A1MAPTRAB9ANPC1MAPK1 | |
| SCHEMBL28562051 | 0.79 | KDM4E (0.41) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6921189 | 0.76 | DHFR (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2HTT | |
| SCHEMBL28555959 | 0.76 | BRD4 (0.38) | ALDH1A1TSHRBRD4CYP2C9PIK3CA | |
| SCHEMBL3472630 | 0.70 | ALDH1A1 (0.60) | ALDH1A1MAPTRAB9ANPC1MAPK1 | |
| SCHEMBL7482670 | 0.69 | ALDH1A1 (0.48) | ALDH1A1MAPTRAB9ANPC1MAPK1 |
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-108752325-B | Preparation method of 3-oxyalkyl quinoxaline-2 (1H) -ketone compound | 曲阜师范大学 | 2021-03-23 | — | — | CN | disclosed |