Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 10/20 | 0.52 |
| ▸ | MAOA | P21397 | 5/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28819521 | 0.90 | IP6K1 (0.67) | IP6K1MAOBMAOACYP1B1POLB | |
| SCHEMBL28819517 | 0.90 | IP6K1 (0.67) | IP6K1MAOBMAOACYP1B1POLB | |
| SCHEMBL28017127 | 0.89 | IP6K1 (0.56) | IP6K1MAOBMAOACYP1B1CXCL12 | |
| SCHEMBL28819820 | 0.89 | IP6K1 (0.56) | IP6K1MAOBMAOACYP1B1CXCL12 | |
| SCHEMBL28017668 | 0.87 | IP6K1 (0.54) | IP6K1MAOBMAOACYP1B1POLB | |
| SCHEMBL28017665 | 0.87 | IP6K1 (0.54) | IP6K1MAOBMAOACYP1B1POLB | |
| SCHEMBL28017157 | 0.86 | IP6K1 (0.53) | IP6K1MAOBMAOAPOLBNPSR1 | |
| SCHEMBL28017154 | 0.80 | MAOB (0.58) | IP6K1MAOBABCG2CYP1B1HSD17B10 | |
| SCHEMBL28017664 | 0.77 | MAPT (0.57) | IP6K1MAOBABCG2CYP1B1HSD17B10 | |
| SCHEMBL30864305 | 0.76 | TDP1 (0.67) | IP6K1POLBNPSR1HSD17B10TYMS |
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-104803927-A | Chalcone analogue containing 2-methyl-4-oxo-quinazoline-6-base, and preparation method and application thereof | UNIV CAPITAL NORMAL | 2015-07-29 | — | — | CN | disclosed |