Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL673255 | 0.84 | NCF1 (0.49) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1458176 | 0.79 | ALDH1A1 (0.50) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4486496 | 0.79 | KDM4E (0.70) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL672108 | 0.79 | KDM4E (0.50) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1289632 | 0.77 | ESR2 (0.65) | ALDH1A1MAPTALKHPGDESR1 | |
| SCHEMBL18758173 | 0.77 | XDH (0.50) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12393772 | 0.75 | KDM4E (0.85) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28247825 | 0.75 | KDM4E (0.64) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1289679 | 0.73 | PDE3B (0.40) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL733059 | 0.72 | NPC1 (0.40) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103459382-A | Heterocyclic compounds for the inhibition of pask | BIOENERGENIX LLC | 2013-12-18 | — | — | CN | claimed |