Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | YWHAB | P31946 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 2/20 | 0.33 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10040007 | 0.88 | NPC1 (0.52) | NPC1POLBPTK2BALDH1A1RAB9A | |
| SCHEMBL6884537 | 0.85 | POLB (0.44) | NPC1POLBPTK2BALDH1A1RAB9A | |
| SCHEMBL342875 | 0.83 | LIPG (0.44) | NPC1POLBPTK2BALDH1A1TSHR | |
| SCHEMBL9417095 | 0.83 | POLB (0.44) | NPC1POLBPTK2BALDH1A1RAB9A | |
| Fluoride SCHEMBL29262357 | 0.81 | LIPG (0.43) | NPC1POLBPTK2BALDH1A1TSHR | |
| SCHEMBL18261818 | 0.81 | LIPG (0.51) | TSHR | |
| SCHEMBL1100802 | 0.80 | LIPG (0.54) | NPC1POLBPTK2B | |
| SCHEMBL3287177 | 0.80 | LIPG (0.54) | NPC1POLBPTK2B | |
| SCHEMBL1099141 | 0.80 | LIPG (0.54) | NPC1POLBPTK2B | |
| SCHEMBL1100866 | 0.80 | LIPG (0.54) | NPC1POLBPTK2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6730788-B1 | COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND | UNIVERSITY OF NOTRE DAME | 2004-05-04 | — | — | US | disclosed |