Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28519313 | 0.84 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL28677828 | 0.83 | ALDH1A1 (0.75) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL28511846 | 0.81 | KDM4E (0.68) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL7435419 | 0.80 | KDM4E (0.72) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL28678706 | 0.79 | KMT2A (0.55) | ALDH1A1MEN1KMT2AKDM4EHTT | |
| SCHEMBL6720319 | 0.79 | HTT (0.50) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL6720318 | 0.78 | L3MBTL1 (0.47) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL6720307 | 0.78 | HTT (0.50) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL28694638 | 0.76 | MEN1 (0.54) | ALDH1A1L3MBTL1MEN1KMT2AKDM4E | |
| SCHEMBL5124064 | 0.75 | ALDH1A1 (0.63) | ALDH1A1KDM4EHTTSMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112279845-B | Aryl or heteroaryl substituted thiadiazoles compounds and antibacterial application thereof | 中国医学科学院药物研究所 | 2023-07-28 | — | — | CN | disclosed |
| CN-110041306-B | 4-hydroxy-2-quinolone-N- (4-quinazolinone) -3-carboxamide derivatives | 中国医学科学院药物研究所 | 2022-01-11 | — | — | CN | disclosed |
| CN-112279845-A | Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof | 中国医学科学院药物研究所 | 2021-01-29 | — | — | CN | disclosed |