Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | CLK1 | P49759 | 1/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.53 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 2/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | SULT1A1 | P50225 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14916683 | 1.00 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL14925267 | 0.86 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL14925266 | 0.78 | CLK1 (0.56) | ALDH1A1RAB9AMAPTKDM4ELMNA | |
| SCHEMBL2554440 | 0.78 | APP (0.54) | NPC1RAB9AMAPTKDM4ELMNA | |
| SCHEMBL14916183 | 0.77 | ERN1 (0.61) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL4929202 | 0.70 | KDM4E (0.65) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL3468735 | 0.69 | AR (0.70) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL2099175 | 0.68 | APP (0.53) | MAPTSULT1A1APP | |
| SCHEMBL2549277 | 0.68 | SULT1A1 (0.53) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL30406206 | 0.68 | SULT1A1 (0.53) | ALDH1A1NPC1RAB9AMAPTKDM4E |
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-110172051-B | IRE-1 alpha inhibitors | 复星弘创(苏州)医药科技有限公司 | 2023-03-07 | — | — | CN | disclosed |