Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.34 |
| ▸ | POLQ | O75417 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24625511 | 0.80 | GRIN2B (0.39) | GRIN2BGRIN1MCHR1ALDH1A1PSMB5 | |
| SCHEMBL15470640 | 0.73 | HDAC4 (0.36) | ALDH1A1NPC1MITFLMNATP53 | |
| SCHEMBL25997014 | 0.72 | KCNH2 (0.41) | ALDH1A1NPC1MITFLMNATP53 | |
| SCHEMBL24802449 | 0.69 | GRIN2B (0.48) | GRIN2BGRIN1 | |
| SCHEMBL21025176 | 0.69 | GRIN2B (0.40) | GRIN2BGRIN1 | |
| SCHEMBL24803269 | 0.68 | GRIN2B (0.42) | GRIN2BGRIN1NPC1RAB9A | |
| SCHEMBL17083424 | 0.68 | SMN1; SMN2 (0.47) | MCHR1ALDH1A1NPC1MITFLMNA | |
| SCHEMBL6165302 | 0.67 | GRIN2B (0.44) | GRIN2BGRIN1MCHR1 | |
| SCHEMBL9300619 | 0.67 | NPC1 (0.37) | ALDH1A1NPC1MITFLMNATP53 | |
| SCHEMBL20541532 | 0.66 | HDAC6 (0.45) | GRIN2BGRIN1POLQHDAC6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022148442-A1 | 6-SUBSTITUTED PHOSPHORYL QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-07-14 | — | — | WO | disclosed |