Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18199495 | 0.89 | SMN1; SMN2 (0.66) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL13194131 | 0.85 | SMN1; SMN2 (0.52) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL20340484 | 0.85 | SMN1; SMN2 (0.66) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL24692521 | 0.82 | SMN1; SMN2 (0.58) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL7035049 | 0.82 | CASP2 (0.59) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL20440306 | 0.82 | SMN1; SMN2 (0.58) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL18908668 | 0.80 | SMN1; SMN2 (0.59) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL23343280 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL24047859 | 0.80 | CASP2 (0.62) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A | |
| SCHEMBL24249503 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2TP53ALDH1A1HPGDKMT2A |
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-2017197488-A1 | LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-11-23 | — | — | WO | disclosed |