Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL826368 | 0.94 | KDM4E (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL29388428 | 0.94 | KDM4E (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL2307870 | 0.82 | KDM4E (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL5281969 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL3645535 | 0.81 | KDM4E (0.44) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Triethylene Glycol SCHEMBL17421661 | 0.78 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL23701489 | 0.78 | KDM4E (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL4632146 | 0.78 | KDM4E (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL20995459 | 0.78 | KDM4E (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL11001241 | 0.78 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458956-B | The heterocycle sulfone that heteroaryl replaces | 格吕伦塔尔有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-108440370-A | Inhibitors of viral replication | 鲁汶天主教大学 | 2018-08-24 | — | — | CN | disclosed |
| CN-104024223-B | Inhibitors of viral replication | 鲁汶天主教大学 | 2018-07-24 | — | — | CN | disclosed |
| CN-106458956-A | Heteroaryl substituted heterocyclyl sulfones | 格吕伦塔尔有限公司 | 2017-02-22 | — | — | CN | disclosed |