Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL900206 | 0.83 | KCNK2 (0.31) | PDE2AKCNK2KDM4EALDH1A1TDP1 | |
| SCHEMBL10525468 | 0.78 | PDE2A (0.46) | PDE2AKCNK2KDM4EALDH1A1TDP1 | |
| SCHEMBL900738 | 0.75 | PDE2A (0.37) | PDE2AKCNK2KDM4EALDH1A1TDP1 | |
| SCHEMBL900795 | 0.75 | HTR2A (0.34) | PDE2A | |
| SCHEMBL16953381 | 0.74 | ADRA2A (0.36) | ALDH1A1 | |
| SCHEMBL476655 | 0.71 | ALDH1A1 (0.38) | KDM4EALDH1A1TDP1 | |
| SCHEMBL900207 | 0.71 | SMN1; SMN2 (0.34) | PDE2AKCNK2KDM4EALDH1A1TDP1 | |
| SCHEMBL900648 | 0.71 | PDE2A (0.44) | PDE2AKDM4EALDH1A1TDP1 | |
| SCHEMBL12474346 | 0.71 | IDO1 (0.35) | KDM4E | |
| SCHEMBL900287 | 0.70 | HTR2A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |