Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | AXL | P30530 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.38 |
| ▸ | SELP | P16109 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5177285 | 0.87 | KMT2A (0.61) | KMT2AAXLMEN1HSD17B10 | |
| SCHEMBL20329963 | 0.83 | MAPK1 (0.48) | KMT2AAXLTYRO3SELP | |
| SCHEMBL21593636 | 0.83 | KMT2A (0.47) | KMT2AAXLFLT3TYRO3MERTK | |
| SCHEMBL17196933 | 0.82 | KMT2A (0.51) | KMT2AAXLFLT3CYP1A2MEN1 | |
| SCHEMBL21593667 | 0.82 | KMT2A (0.46) | KMT2AAXL | |
| SCHEMBL20330322 | 0.81 | KMT2A (0.45) | KMT2AAXL | |
| SCHEMBL1783841 | 0.79 | KMT2A (0.49) | KMT2AAXLFLT3CYP1A2MEN1 | |
| SCHEMBL12526937 | 0.79 | KMT2A (0.73) | KMT2AAXLCYP1A2MEN1CYP2D6 | |
| SCHEMBL12526913 | 0.79 | NSD2 (0.46) | KMT2AAXLCYP1A2MEN1CYP2D6 | |
| Hydrochloric Acid SCHEMBL1748456 | 0.78 | KMT2A (0.71) | KMT2AAXLCYP1A2MEN1CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805400-A | Dihydropurine thioketone derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-29 | — | — | CN | disclosed |
| WO-2019238929-A1 | PURINONE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2019-12-19 | — | — | WO | disclosed |