Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 10/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.47 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27618363 | 0.81 | GSK3B (0.54) | MAPTALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL654394 | 0.81 | GSK3B (0.69) | MAPTALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL1699158 | 0.81 | MAPT (0.48) | MAPTALDH1A1HTTMEN1KMT2A | |
| SCHEMBL16014941 | 0.80 | PIN1 (0.67) | MAPTALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL15201502 | 0.77 | TDP1 (0.61) | MAPTALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL5413779 | 0.77 | GSK3B (0.60) | MAPTALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL720482 | 0.76 | NPC1 (0.56) | MAPTALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL11856114 | 0.73 | PGK1 (0.47) | MAPTL3MBTL1NPC1RAB9APOLB | |
| SCHEMBL11348624 | 0.73 | PTGS2 (0.67) | MAPTALDH1A1HTTL3MBTL1MEN1 | |
| SCHEMBL5838060 | 0.73 | MAPK1 (0.62) | MAPTALDH1A1HTTL3MBTL1MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964648-A1 | 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS | Merck Patent GmbH (DE) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014135245-A1 | 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS | MERCK PATENT GMBH (DE) | 2014-09-12 | — | — | WO | disclosed |