Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7076016 | 0.97 | KDM4E (0.49) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL7076583 | 0.93 | KDM4E (0.48) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL7075963 | 0.89 | ALDH1A1 (0.55) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL7074931 | 0.86 | KDM4E (0.44) | ALDH1A1MAPTKMT2AKDM4ELMNA | |
| SCHEMBL7130108 | 0.86 | KDM4E (0.43) | ALDH1A1MAPTKMT2AKDM4ELMNA | |
| SCHEMBL7076586 | 0.86 | KDM4E (0.49) | ALDH1A1MAPTKDM4ESMN1; SMN2THRA | |
| SCHEMBL7076243 | 0.85 | KDM4E (0.54) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL1776033 | 0.84 | KDM4E (0.53) | ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL7075715 | 0.84 | KDM4E (0.43) | ALDH1A1MAPTKMT2AKDM4ELMNA | |
| SCHEMBL7131687 | 0.81 | KDM4E (0.53) | ALDH1A1MAPTKMT2AKDM4ESMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2003051368-A1 | N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2003-06-26 | — | — | WO | disclosed |