Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | GRM5 | P41594 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 6/20 | 0.43 |
| ▸ | TP53 | P04637 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7464636 | 0.76 | KDM4E (0.38) | KDM4EALDH1A1PKMRAB9AHSD17B10 | |
| SCHEMBL13849699 | 0.75 | TDP1 (0.43) | KDM4EALDH1A1TDP1PKMNPC1 | |
| SCHEMBL776048 | 0.75 | KDM4E (0.67) | KDM4EALDH1A1TDP1GRM5PKM | |
| SCHEMBL7964553 | 0.74 | KDM4E (0.59) | KDM4EALDH1A1TDP1GRM5PKM | |
| SCHEMBL12824407 | 0.74 | KDM4E (0.71) | KDM4EALDH1A1TDP1GRM5PKM | |
| SCHEMBL21176819 | 0.73 | GRM4 (0.51) | KDM4EALDH1A1NPC1RAB9AL3MBTL1 | |
| SCHEMBL9486988 | 0.72 | KMT2A (0.60) | KDM4EALDH1A1TDP1GRM5PKM | |
| SCHEMBL9486978 | 0.72 | NPC1 (0.60) | KDM4EALDH1A1TDP1GRM5PKM | |
| SCHEMBL3076222 | 0.71 | KDM4E (0.62) | KDM4EALDH1A1TDP1GRM5PKM | |
| SCHEMBL17253104 | 0.71 | PDPK1 (0.39) | KDM4EALDH1A1TDP1PKMNPC1 |
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-0431421-A2 | Heteroarylsubstituted pyridinylpyrimidin derivatives | BAYER AG (DE) | 1991-06-12 | — | — | EP | disclosed |