Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.57 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3088381 | 0.81 | ADORA3 (0.66) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL3099398 | 0.80 | ADORA3 (0.65) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL561316 | 0.80 | ADORA3 (0.64) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL3086774 | 0.79 | ADORA3 (0.52) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL3096895 | 0.78 | ADORA3 (0.62) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL3075260 | 0.77 | ADORA3 (0.70) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL28293697 | 0.77 | ADORA3 (0.61) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL3075153 | 0.77 | ADORA3 (0.57) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL28357731 | 0.77 | ADORA3 (0.57) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL3086772 | 0.77 | ADORA3 (0.60) | ADORA3NUDT1HSD17B10ALDH1A1CYP1A2 |
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-108276385-A | Isobutyryl amino-quinazoline compound and its preparation and application | 浙江工业大学 | 2018-07-13 | — | — | CN | claimed |
| CN-108276385-A | Isobutyryl amino-quinazoline compound and its preparation and application | 浙江工业大学 | 2018-07-13 | — | — | CN | disclosed |
| CN-108276385-A | Isobutyryl amino-quinazoline compound and its preparation and application | 浙江工业大学 | 2018-07-13 | — | — | CN | disclosed |
| CN-108276385-A | Isobutyryl amino-quinazoline compound and its preparation and application | 浙江工业大学 | 2018-07-13 | — | — | CN | disclosed |