Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.64 |
| ▸ | GSK3B | P49841 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | SOD1 | P00441 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | QPCT | Q16769 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849334 | 0.85 | KDM4E (0.53) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL9849299 | 0.85 | ALDH1A1 (0.65) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL9849642 | 0.82 | ALDH1A1 (0.61) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL3629352 | 0.79 | GSK3A (0.64) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL3632615 | 0.77 | GSK3A (0.61) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL3629417 | 0.77 | TP53 (0.60) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL3632114 | 0.76 | GSK3A (0.60) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL3629432 | 0.76 | GSK3A (0.60) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL7749401 | 0.76 | ALDH1A1 (0.59) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 | |
| SCHEMBL3630219 | 0.76 | GSK3A (0.59) | GSK3AGSK3BSMN1; SMN2ALDH1A1SOD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |