Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21768279 | 0.88 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL21768293 | 0.88 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL21768276 | 0.88 | ALDH1A1 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL21781790 | 0.85 | NPC1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL30988369 | 0.84 | NPC1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL21781787 | 0.84 | NPC1 (0.36) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL22068123 | 0.81 | HTT (0.42) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL17574676 | 0.80 | ALDH1A1 (0.57) | NPC1RAB9AALDH1A1SMN1; SMN2HTT | |
| SCHEMBL16701867 | 0.76 | TP53 (0.45) | NPC1RAB9AALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL22068089 | 0.71 | GAA (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2TP53 |
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-110312730-B | Cytotoxins and conjugates, uses thereof and methods of preparation | 四川科伦博泰生物医药股份有限公司 | 2024-06-18 | — | — | CN | disclosed |