Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.38 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.38 |
| ▸ | ITGAL | P20701 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CRHBP | P24387 | 2/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18896908 | 0.78 | NPC1 (0.32) | NPC1RAB9ASMN1; SMN2ESR1ESR2 | |
| SCHEMBL24317332 | 0.76 | ALOX15 (0.51) | NPC1RAB9AITGB2ICAM1ITGAL | |
| SCHEMBL20846975 | 0.74 | KDM4E (0.48) | CYP1A2NPC1RAB9AKDM1AMAOA | |
| SCHEMBL22221860 | 0.73 | RAB9A (0.53) | NPC1RAB9AITGB2ICAM1ITGAL | |
| SCHEMBL335161 | 0.71 | — | — | |
| SCHEMBL33192 | 0.71 | — | — | |
| SCHEMBL29373453 | 0.71 | — | — | |
| SCHEMBL11480538 | 0.71 | EPHX2 (0.40) | CYP1A2SMN1; SMN2 | |
| SCHEMBL19346223 | 0.70 | ALOX15 (0.51) | NPC1RAB9AITGB2ICAM1ITGAL | |
| SCHEMBL25901189 | 0.70 | RAB9A (0.50) | NPC1RAB9AMAOBESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3915367-A1 | DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS | BioSplice Therapeutics, Inc. (US) | 2021-12-01 | — | — | EP | disclosed |
| EP-3311666-B1 | DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS | SAMUMED LLC (US) | 2021-05-05 | — | — | EP | disclosed |
| EP-3311666-A1 | DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS | Samumed, LLC (US) | 2018-04-25 | — | — | EP | disclosed |