Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CCR1 | P32246 | 3/20 | 0.53 |
| ▸ | CCR5 | P51681 | 3/20 | 0.53 |
| ▸ | CCR8 | P51685 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | ALPG | P10696 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Dipyridyl SCHEMBL28077341 | 0.89 | KDM4E (0.58) | NPC1RAB9AKDM4ETP53LMNA | |
| SCHEMBL20169526 | 0.87 | NPC1 (0.44) | NPC1RAB9AKDM4EHTTHSP90AA1 | |
| SCHEMBL776048 | 0.85 | KDM4E (0.67) | NPC1RAB9AKDM4ETP53LMNA | |
| SCHEMBL2062004 | 0.82 | KDM4E (0.67) | NPC1RAB9AKDM4ETP53LMNA | |
| SCHEMBL29907668 | 0.82 | KDM4E (0.67) | NPC1RAB9AKDM4ETP53LMNA | |
| Dipyridyl SCHEMBL6050743 | 0.82 | KDM4E (0.67) | NPC1RAB9AKDM4ETP53LMNA | |
| SCHEMBL31140235 | 0.82 | KDM4E (0.67) | NPC1RAB9AKDM4ETP53LMNA | |
| SCHEMBL6535045 | 0.81 | KDM4E (0.67) | NPC1RAB9AKDM4ETP53LMNA | |
| SCHEMBL19944117 | 0.79 | KDM4E (0.59) | NPC1RAB9AKDM4ETP53LMNA | |
| SCHEMBL27946179 | 0.79 | KDM4E (0.59) | NPC1RAB9AKDM4ETP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3670509-A1 | INHIBITORS OF INV(16) LEUKEMIA | The University of Virginia Patent Foundation (US) | 2020-06-24 | — | — | EP | disclosed |