Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | TOP1 | P11387 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1302464 | 0.94 | CYP3A4 (0.50) | KDM4EALDH1A1TOP1MAPTNPC1 | |
| SCHEMBL28047011 | 0.87 | KDM4E (0.56) | KDM4EALDH1A1TOP1MAPTNPC1 | |
| SCHEMBL15886342 | 0.83 | NPC1 (0.43) | KDM4EALDH1A1TOP1MAPTNPC1 | |
| SCHEMBL25862731 | 0.82 | ALK (0.41) | KDM4EALDH1A1TOP1MAPTNPC1 | |
| SCHEMBL25862732 | 0.82 | PRKDC (0.41) | KDM4EALDH1A1TOP1MAPTNPC1 | |
| SCHEMBL12837712 | 0.80 | KDM4E (0.44) | KDM4EALDH1A1TOP1MAPTNPC1 | |
| SCHEMBL12837716 | 0.80 | KDM5C (0.56) | KDM4EALDH1A1MAPT | |
| SCHEMBL1681410 | 0.79 | CYP2E1 (0.47) | KDM4EALDH1A1MAPTNPC1SMN1; SMN2 | |
| SCHEMBL12247658 | 0.79 | CYP2E1 (0.47) | KDM4EALDH1A1MAPTNPC1SMN1; SMN2 | |
| SCHEMBL2378346 | 0.79 | CYP2E1 (0.47) | KDM4EALDH1A1TOP1MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015127941-A1 | QUALITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR) OF NEW ORGANIC COMPOUNDS SYNTHESIZED BY STILLE CROSS COUPLING REACTION WITH ANTITUMOR ACTIVITY | ABOU ELSAOUD YASMINE MOHAMED HASHEM EZZ EL DIN (EG) | 2015-09-03 | — | — | WO | disclosed |