Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PDE6D | O43924 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | PDE6A | P16499 | 1/20 | 0.37 |
| ▸ | PDE6G | P18545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9423003 | 0.88 | GSK3B (0.44) | PARP1GSK3BADORA1ADORA3ADORA2A | |
| SCHEMBL9423324 | 0.81 | PARP1 (0.50) | PARP1GSK3BSMN1; SMN2ADORA1ADORA3 | |
| SCHEMBL10631883 | 0.74 | PARP1 (0.51) | PARP1SMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL9422938 | 0.72 | GSK3B (0.44) | PARP1GSK3BALDH1A1KDM4E | |
| SCHEMBL10634525 | 0.71 | KMT2A (0.53) | PARP1SMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL13534960 | 0.69 | PARP1 (0.51) | PARP1ADORA2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL15191719 | 0.69 | PARP1 (0.57) | PARP1SMN1; SMN2ADORA3ALDH1A1KDM4E | |
| SCHEMBL9423168 | 0.68 | PARP1 (0.42) | PARP1GSK3BALDH1A1 | |
| SCHEMBL10634702 | 0.68 | ABCB1 (0.60) | PDE10ASMN1; SMN2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL10634509 | 0.68 | HTT (0.47) | PARP1GSK3BSMN1; SMN2ALDH1A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5358947-A | Treating hypertension, congestive heart failure | AMERICAN CYANAMID COMPANY (US) | 1994-10-25 | — | — | US | disclosed |