Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.58 |
| ▸ | RAB9A | P51151 | 12/20 | 0.58 |
| ▸ | TP53 | P04637 | 6/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29249372 | 0.87 | KCNK3 (0.62) | NPC1RAB9ATP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL29249357 | 0.84 | KCNK3 (0.54) | NPC1RAB9ATP53SMN1; SMN2KCNK9 | |
| SCHEMBL29249356 | 0.82 | NR1H4 (0.56) | SMN1; SMN2KMT2AMEN1KDM4EMAPT | |
| SCHEMBL29249359 | 0.78 | KCNK3 (0.60) | NPC1RAB9ATP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL6799157 | 0.76 | RAB9A (1.00) | NPC1RAB9ATP53SMN1; SMN2ALOX15 | |
| SCHEMBL19824964 | 0.74 | RAB9A (0.81) | NPC1RAB9ATP53SMN1; SMN2ALOX15 | |
| SCHEMBL19825008 | 0.74 | RAB9A (0.81) | NPC1RAB9ATP53SMN1; SMN2ALOX15 | |
| SCHEMBL11729306 | 0.73 | RAB9A (0.86) | NPC1RAB9ATP53SMN1; SMN2ALOX15 | |
| SCHEMBL10428818 | 0.73 | NPC1 (0.74) | NPC1RAB9ATP53SMN1; SMN2ALOX15 | |
| SCHEMBL11592884 | 0.73 | NPC1 (0.69) | NPC1RAB9ATP53SMN1; SMN2ALOX15 |
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 |