Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 14/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2552572 | 0.76 | NEK1 (0.52) | NEK1 | |
| SCHEMBL16858750 | 0.68 | NEK1 (0.38) | NEK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1429394 | 0.66 | PRKDC (0.39) | PDE3BPDE3AGRIN2DGRIN3BGRIN1 | |
| SCHEMBL2549746 | 0.66 | NEK1 (0.63) | NEK1 | |
| SCHEMBL2553600 | 0.64 | NEK1 (0.47) | NEK1 | |
| SCHEMBL2547614 | 0.63 | CHEK1 (0.43) | NEK1KDM4EALDH1A1HPGD | |
| SCHEMBL16858741 | 0.63 | PARP1 (0.41) | NEK1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL15092557 | 0.62 | CHEK1 (0.42) | NEK1KDM4EALDH1A1HPGD | |
| SCHEMBL2552389 | 0.61 | NEK1 (0.60) | NEK1 | |
| SCHEMBL2553281 | 0.60 | CYP1A2 (0.52) | KDM4EALDH1A1HPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102917590-B | Tricyclic compound and the PBK inhibitor containing described compound | ONCOTHERAPY SCIENCE, INC. (JP) | 2016-02-17 | — | — | CN | disclosed |