Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | MAP3K7 | O43318 | 3/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16754674 | 1.00 | KMT2A (0.43) | KMT2AKDM4EALDH1A1GAANR3C2 | |
| SCHEMBL16754467 | 1.00 | KMT2A (0.43) | KMT2AKDM4EALDH1A1GAANR3C2 | |
| SCHEMBL16775788 | 1.00 | KMT2A (0.43) | KMT2AKDM4EALDH1A1GAANR3C2 | |
| SCHEMBL16754643 | 1.00 | KMT2A (0.43) | KMT2AKDM4EALDH1A1GAANR3C2 | |
| SCHEMBL17778198 | 1.00 | KMT2A (0.43) | KMT2AKDM4EALDH1A1GAANR3C2 | |
| SCHEMBL17778266 | 1.00 | KMT2A (0.43) | KMT2AKDM4EALDH1A1GAANR3C2 | |
| SCHEMBL16238283 | 0.81 | HTR3E (0.43) | KDM4EALDH1A1TDP1 | |
| SCHEMBL16238612 | 0.80 | MAP4K4 (0.47) | PDE10ABTK | |
| SCHEMBL20632095 | 0.80 | MAP4K4 (0.47) | PDE10ABTK | |
| SCHEMBL19865061 | 0.79 | HTR3A (0.41) | KDM4EALDH1A1PDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016081692-A2 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-05-26 | — | — | WO | disclosed |
| WO-2016079709-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |