Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 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 | |
|---|---|---|---|---|
| SCHEMBL29249363 | 0.90 | MAPT (0.47) | LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL29249355 | 0.88 | FFAR1 (0.55) | NPC1RAB9AALDH1A1MAPTMAOB | |
| SCHEMBL29249358 | 0.86 | MAOB (0.53) | LMNAMAOBALOX5TDP1FFAR1 | |
| SCHEMBL29249366 | 0.79 | MAOB (0.62) | NPC1RAB9AMAOBSMN1; SMN2TP53 | |
| SCHEMBL10618638 | 0.71 | TDP1 (0.53) | MAOBTDP1TSPOFFAR1 | |
| SCHEMBL19223062 | 0.69 | LTA4H (0.67) | NPC1RAB9ALMNAALDH1A1MAPT | |
| SCHEMBL3722771 | 0.69 | MAOB (0.60) | NPC1RAB9ALMNAALDH1A1MAPT | |
| SCHEMBL503308 | 0.68 | PLA2G4B (0.58) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL20873180 | 0.68 | ALDH1A1 (0.47) | NPC1RAB9ALMNAALDH1A1MAPT | |
| SCHEMBL10143992 | 0.68 | NPC1 (1.00) | NPC1RAB9ALMNAALDH1A1MAPT |
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-118324653-A | Compound, metal compound, preparation method and application thereof, contrast agent and imaging method | 四川大学 | 2024-07-12 | — | — | CN | disclosed |