Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11622420 | 0.89 | TOP2A (0.41) | KDM4EALDH1A1PDE10ATOP2ACYP1A2 | |
| SCHEMBL11595420 | 0.76 | KDM4E (0.38) | KDM4EALDH1A1CYP1A2PARP1 | |
| SCHEMBL11595529 | 0.74 | KDM4E (0.34) | KDM4EALDH1A1 | |
| SCHEMBL31256305 | 0.72 | TOP2A (0.50) | KDM4EPDE10ATOP2A | |
| SCHEMBL17627450 | 0.72 | TOP2A (0.40) | KDM4EALDH1A1TOP2A | |
| SCHEMBL11598229 | 0.72 | KDM4E (0.36) | KDM4EALDH1A1 | |
| SCHEMBL9534299 | 0.72 | ADORA3 (0.49) | KDM4EALDH1A1CYP1A2GRM4CYP2D6 | |
| SCHEMBL11596500 | 0.71 | PARP1 (0.68) | KDM4EALDH1A1CYP1A2PARP1 | |
| SCHEMBL22845397 | 0.69 | KDM4E (0.43) | KDM4EALDH1A1CYP1A2 | |
| SCHEMBL17627424 | 0.69 | KDM4E (0.38) | KDM4EALDH1A1TOP2AGRM4 |
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-4066645-A | Derivatives of pyrazolo [1,5-a]pyrido[3,4-e]pyrimidine | E. R. SQUIBB & SONS, INC. (US) | 1978-01-03 | — | — | US | disclosed |