Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PDE1A | P54750 | 2/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22285882 | 0.82 | TDP1 (0.47) | ALDH1A1PDE2AADRA2AKDM4ERXFP1 | |
| SCHEMBL19411259 | 0.82 | TDP1 (0.47) | ALDH1A1PDE2AADRA2AKDM4ERXFP1 | |
| SCHEMBL19424143 | 0.80 | KMT2A (0.37) | ALDH1A1KDM4EMMP9MAOAMAOB | |
| SCHEMBL19424127 | 0.79 | MMP9 (0.31) | ALDH1A1KDM4EMMP9MAOAMAOB | |
| SCHEMBL19424101 | 0.74 | MEN1 (0.31) | MMP9MAOAMAOBMEN1KMT2A | |
| SCHEMBL22285880 | 0.65 | TDP1 (0.50) | ALDH1A1KDM4ERXFP1MEN1USP2 | |
| SCHEMBL24201806 | 0.64 | MEN1 (0.74) | ALDH1A1KDM4ERXFP1MEN1USP2 | |
| SCHEMBL19424100 | 0.64 | MEN1 (0.74) | ALDH1A1KDM4ERXFP1MEN1USP2 | |
| SCHEMBL20155598 | 0.64 | MEN1 (0.74) | ALDH1A1KDM4ERXFP1MEN1USP2 | |
| SCHEMBL11473786 | 0.63 | SLC9A1 (0.51) | ALDH1A1KDM4ENPSR1MMP9MAOA |
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-2017168447-A1 | A CYCLIC COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2017-10-05 | — | — | WO | disclosed |