Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15320729 | 1.00 | NPC1 (0.48) | NPC1RAB9ATDP1HDAC8TUBB1 | |
| SCHEMBL15320842 | 0.86 | HDAC8 (0.46) | NPC1RAB9ATDP1HDAC8ALDH1A1 | |
| SCHEMBL1148548 | 0.85 | GLRA1 (0.46) | NPC1RAB9ATDP1HDAC8SMN1; SMN2 | |
| SCHEMBL15320665 | 0.83 | HDAC8 (0.46) | NPC1RAB9ATDP1HDAC8SMN1; SMN2 | |
| SCHEMBL2267469 | 0.81 | ERN1 (0.43) | NPC1RAB9ATDP1HDAC8ALDH1A1 | |
| SCHEMBL25750639 | 0.81 | NPC1 (0.52) | NPC1RAB9ATDP1HDAC8TUBB1 | |
| SCHEMBL21347524 | 0.80 | TUBB1 (0.59) | NPC1RAB9ATDP1HDAC8TUBB1 | |
| SCHEMBL15326013 | 0.80 | FFAR1 (0.44) | NPC1RAB9ATDP1HDAC8ALDH1A1 | |
| SCHEMBL7147744 | 0.79 | TUBB1 (0.66) | NPC1RAB9ATDP1HDAC8TUBB1 | |
| SCHEMBL21370452 | 0.79 | NPC1 (0.61) | NPC1RAB9ATDP1HDAC8TUBB1 |
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-111164074-B | Heat shock protein 90 inhibitors | 台北医学大学 | 2024-02-02 | — | — | CN | disclosed |