Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29918238 | 1.00 | KDM4E (0.53) | KDM4EALDH1A1LCKFYNGAA | |
| SCHEMBL3125277 | 0.93 | KDM4E (0.53) | KDM4EALDH1A1LCKFYNGAA | |
| SCHEMBL22691985 | 0.87 | ALDH1A1 (0.58) | KDM4EALDH1A1LCKFYNGAA | |
| SCHEMBL85946 | 0.86 | KDM4E (0.69) | KDM4EALDH1A1LCKFYNGAA | |
| SCHEMBL10520470 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1GAACA9HTT | |
| SCHEMBL3549850 | 0.85 | KDM4E (0.53) | KDM4EALDH1A1GAAHPGDHTT | |
| Hydrochloric Acid SCHEMBL5012089 | 0.85 | KDM4E (0.67) | KDM4EALDH1A1LCKFYNGAA | |
| SCHEMBL23520824 | 0.84 | KDM4E (0.77) | KDM4EALDH1A1GAAHPGDHTT | |
| Nitrogen SCHEMBL28644623 | 0.83 | KDM4E (0.65) | KDM4EALDH1A1LCKFYNGAA | |
| SCHEMBL13596372 | 0.82 | ALDH1A1 (0.56) | KDM4EALDH1A1LCKFYNHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102850397-B | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2015-02-18 | — | — | CN | claimed |
| CN-102850397-A | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2013-01-02 | — | — | CN | claimed |
| CN-102850397-B | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2015-02-18 | — | — | CN | disclosed |
| CN-102850397-A | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2013-01-02 | — | — | CN | disclosed |
| WO-2003106435-A1 | FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF | SANKYO COMPANY, LIMITED (JP) | 2003-12-24 | — | — | WO | disclosed |