Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CTSD | P07339 | 1/20 | 0.45 |
| ▸ | CTSE | P14091 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.44 |
| ▸ | MMP13 | P45452 | 6/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 3/20 | 0.43 |
| ▸ | MMP3 | P08254 | 3/20 | 0.43 |
| ▸ | MMP7 | P09237 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 3/20 | 0.43 |
| ▸ | MMP8 | P22894 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30618242 | 0.84 | ALDH1A1 (0.44) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL21795780 | 0.83 | NPC1 (0.50) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL2488375 | 0.83 | GPR119 (0.56) | ALDH1A1CTSDCTSEBACE1GPR119 | |
| SCHEMBL20758445 | 0.81 | GPR119 (0.60) | BACE1GPR119ALOX5APFEN1 | |
| SCHEMBL28036931 | 0.81 | ALDH1A1 (0.50) | ALDH1A1NPC1MAPTMAPK1HTT | |
| SCHEMBL25396199 | 0.80 | GPR119 (0.58) | BACE1GPR119ALOX5APFEN1 | |
| SCHEMBL18291225 | 0.79 | PIK3CD (0.51) | GPR119 | |
| SCHEMBL18291214 | 0.79 | PIK3CD (0.51) | GPR119 | |
| SCHEMBL18291224 | 0.79 | PIK3CD (0.51) | GPR119 | |
| SCHEMBL29497122 | 0.78 | DDB1 (0.60) | MAPTGPR119ALOX5APFEN1 |
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-2023177356-A2 | COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION | ENGINE BIOSCIENCES PTE. LTD. (SG) | 2023-09-21 | — | — | WO | disclosed |