Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.65 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | PLK1 | P53350 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | STS | P08842 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11135216 | 0.96 | L3MBTL1 (0.60) | NPC1L3MBTL1MMP1PLK1ALDH1A1 | |
| SCHEMBL18286487 | 0.92 | MMP1 (0.64) | NPC1L3MBTL1MMP1ALDH1A1MAPT | |
| SCHEMBL11135332 | 0.88 | MMP1 (0.59) | NPC1L3MBTL1MMP1ALDH1A1MAPT | |
| SCHEMBL11133126 | 0.86 | NPC1 (0.59) | NPC1L3MBTL1MMP1PLK1ALDH1A1 | |
| SCHEMBL585367 | 0.86 | HDAC1 (0.57) | NPC1MMP1ALDH1A1RAB9AMAPT | |
| SCHEMBL11136680 | 0.85 | L3MBTL1 (0.64) | L3MBTL1MMP1PLK1ALDH1A1MAPT | |
| SCHEMBL11138654 | 0.85 | RARB (0.63) | L3MBTL1MMP1PLA2G4BTP53TSHR | |
| SCHEMBL15926197 | 0.85 | MMP1 (0.57) | NPC1L3MBTL1MMP1ALDH1A1MAPT | |
| SCHEMBL11803505 | 0.85 | THRA (0.64) | L3MBTL1MMP1PLA2G4BTP53TSHR | |
| SCHEMBL11138594 | 0.84 | RARB (0.66) | L3MBTL1MMP1PLA2G4BTP53TSHR |
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-109776293-A | A method of 1,3- cyclohexadione compounds are prepared with acetylenic ketone | 温州大学 | 2019-05-21 | — | — | CN | disclosed |