Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | GMNN | O75496 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HBB | P68871 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6704178 | 0.88 | TP53 (0.51) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL136036 | 0.88 | TP53 (0.51) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL40771 | 0.87 | TP53 (0.50) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL5317002 | 0.87 | TP53 (0.50) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL7145382 | 0.83 | TP53 (0.50) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL16333894 | 0.82 | TP53 (0.45) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL4406383 | 0.81 | TP53 (0.47) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL4271353 | 0.80 | TP53 (0.46) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL2809573 | 0.80 | TP53 (0.46) | TP53ALDH1A1HTTBLMLMNA | |
| SCHEMBL5507731 | 0.80 | TP53 (0.43) | TP53ALDH1A1HTTBLMLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57206396-A | — | — | None | — | — | JP | disclosed |
| US-7666646-B2 | Crystal structure of human Pim-1 kinase protein complexes and binding pockets thereof, and uses thereof in drug design | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-02-23 | — | — | US | disclosed |
| US-20070031956-A1 | Crystal structure of human PIM-1 kinase protein complexes and binding pockets thereof, and uses thereof in drug design | VERTEX PHARMACEUTICALS INCORPORATED | 2007-02-08 | — | — | US | disclosed |
| JP-S57206396-A | PREPARATION OF CYCLIC-3',5'-ADENYLIC ACID BY FERMENTATION METHOD | KIKKOMAN CORP | 1982-12-17 | — | — | JP | disclosed |