Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 2/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28516111 | 0.81 | CDH1 (0.40) | ALDH1A1L3MBTL1NPC1RAB9AKDM4E | |
| SCHEMBL14881450 | 0.75 | PDE4B (0.47) | ALDH1A1NPC1RAB9AKDM4EHPGD | |
| SCHEMBL28516116 | 0.74 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1NPC1RAB9AKDM4E | |
| SCHEMBL23202895 | 0.74 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1NPC1RAB9ACYP1A2 | |
| SCHEMBL30827890 | 0.74 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1NPC1RAB9ACYP1A2 | |
| SCHEMBL16718852 | 0.73 | TSHR (0.44) | ALDH1A1L3MBTL1RAB9AKDM4EHPGD | |
| SCHEMBL23013803 | 0.73 | HTT (0.41) | ALDH1A1L3MBTL1NPC1RAB9ACYP1A2 | |
| SCHEMBL3267461 | 0.73 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1NPC1RAB9ACYP1A2 | |
| SCHEMBL23727661 | 0.73 | KDM4E (0.47) | L3MBTL1NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL2671445 | 0.72 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1NPC1RAB9ACYP1A2 |
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-108003161-B | Neurotrophic factor tyrosine kinase receptor inhibitors | 正大天晴药业集团股份有限公司 | 2020-10-09 | — | — | CN | disclosed |