Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL29947454 | 0.82 | ALDH1A1 (0.43) | CHEK1ATML3MBTL1CYP1A2CTSS | |
| SCHEMBL1996212 | 0.82 | ALDH1A1 (0.43) | CHEK1ATML3MBTL1CYP1A2CTSS | |
| SCHEMBL14629285 | 0.77 | ALDH1A1 (0.45) | CHEK1CYP1A2CTSSCTSKALDH1A1 | |
| SCHEMBL30718705 | 0.73 | PKM (0.44) | NQO2CYP1A2CYP2A6CTSSALDH1A1 | |
| SCHEMBL12033738 | 0.71 | CYP1A2 (0.52) | NQO2CYP1A2CYP2A6PDPK1CSNK1D | |
| SCHEMBL4984360 | 0.70 | HPGDS (0.57) | CHEK1NQO2CYP1A2ALDH1A1CA1 | |
| SCHEMBL14629283 | 0.69 | NQO1 (0.56) | CHEK1NQO2CTSKALDH1A1KDM4E | |
| SCHEMBL31587903 | 0.68 | CHEK1 (0.62) | CHEK1ATML3MBTL1CYP1A2CYP2A6 | |
| SCHEMBL507331 | 0.68 | CHEK1 (0.62) | CHEK1ATML3MBTL1CYP1A2CYP2A6 | |
| SCHEMBL5436850 | 0.68 | KDM4D (0.41) | CTSSCTSKALDH1A1KDM4EMAPT |
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-1739081-A1 | HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |