Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.74 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | HSD17B3 | P37058 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28988602 | 0.86 | HTR7 (0.80) | HTR7NPC1RAB9AHSD17B3HPGD | |
| SCHEMBL7885389 | 0.85 | HTR7 (1.00) | HTR7NPC1RAB9AHSD17B3HPGD | |
| SCHEMBL433486 | 0.84 | HSD17B3 (0.73) | HTR7NPC1RAB9AHSD17B3GAA | |
| SCHEMBL14844948 | 0.84 | NPC1 (0.58) | HTR7NPC1RAB9AHPGDGAA | |
| SCHEMBL9483582 | 0.84 | HSD17B3 (0.62) | HTR7HSD17B3 | |
| SCHEMBL14845018 | 0.83 | NPC1 (0.56) | HTR7NPC1RAB9AHPGDGAA | |
| SCHEMBL6602564 | 0.82 | CES1 (0.58) | HTR7NPC1RAB9AHSD17B3HPGD | |
| SCHEMBL6604902 | 0.82 | HTR7 (0.56) | HTR7NPC1RAB9AHPGDHDAC3 | |
| SCHEMBL27704873 | 0.80 | NPC1 (0.57) | HTR7NPC1RAB9AHPGDPLOD2 | |
| SCHEMBL5178977 | 0.80 | HTR7 (0.89) | HTR7NPC1RAB9AHSD17B3GAA |
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-109776293-B | Method for preparing 1, 3-diketone compound from alkynone | 温州大学 | 2022-04-05 | — | — | CN | disclosed |
| CN-109776293-A | A method of 1,3- cyclohexadione compounds are prepared with acetylenic ketone | 温州大学 | 2019-05-21 | — | — | CN | disclosed |