Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.55 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.55 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | MAT2A | P31153 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29965925 | 1.00 | ALDH1A1 (0.55) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL28895087 | 0.80 | PARP1 (0.46) | ALDH1A1MAPTKDM4EPARP1SIRT2 | |
| SCHEMBL3786255 | 0.78 | PARP1 (0.59) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL29965297 | 0.78 | PARP1 (0.59) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL3589280 | 0.78 | PDE9A (0.69) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL3596617 | 0.77 | PDE2A (0.49) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL3594437 | 0.77 | PDE9A (0.56) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL1459044 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL27541312 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTRAB9APPARGNCOA2 | |
| SCHEMBL31377412 | 0.74 | TP53 (0.48) | ALDH1A1MAPTRAB9APPARGNCOA2 |
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-115368362-A | Quinoxalinone derivatives as BTK inhibitors and application thereof | 华东理工大学 | 2022-11-22 | — | — | CN | disclosed |