Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 10/20 | 0.50 |
| ▸ | KDM1B | Q8NB78 | 6/20 | 0.50 |
| ▸ | AHR | P35869 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1479085 | 1.00 | KDM1A (0.50) | KDM1AKDM1BAHRKCNH2NPC1 | |
| SCHEMBL21218760 | 0.86 | AHR (0.44) | KDM1AKDM1BAHRKCNH2NPC1 | |
| SCHEMBL31070107 | 0.86 | KDM1A (0.44) | KDM1AKDM1BAHRKCNH2NPC1 | |
| SCHEMBL30892371 | 0.86 | KDM1A (0.48) | KDM1AKDM1BAHRKCNH2NPC1 | |
| SCHEMBL1397113 | 0.86 | KDM1A (0.44) | KDM1AKDM1BAHRKCNH2NPC1 | |
| SCHEMBL23539570 | 0.86 | KDM1A (0.48) | KDM1AKDM1BAHRKCNH2NPC1 | |
| SCHEMBL17543931 | 0.80 | AHR (0.44) | KDM1AKDM1BAHRCA1CA2 | |
| SCHEMBL3405663 | 0.79 | TSHR (0.46) | KDM1AKDM1BKCNH2NPC1RAB9A | |
| SCHEMBL7160402 | 0.79 | TSHR (0.46) | KDM1AKDM1BKCNH2NPC1RAB9A | |
| SCHEMBL17541224 | 0.79 | GAA (0.50) | KDM1AKDM1BAHRKCNH2NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119176772-A | Compound with Mrgpr X receptor inhibition effect and application thereof | 博济医药科技股份有限公司 | 2024-12-24 | — | — | CN | disclosed |
| CN-117946111-A | Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof | 上海深势唯思科技有限责任公司 | 2024-04-30 | — | — | CN | disclosed |