Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27650969 | 0.86 | ALDH1A1 (0.34) | ALDH1A1KDM4EKMT2AMAPTMEN1 | |
| SCHEMBL5664732 | 0.85 | ALDH1A1 (0.33) | ALDH1A1NQO1KDM4EL3MBTL1KMT2A | |
| SCHEMBL27813748 | 0.84 | CCR5 (0.33) | ALDH1A1NQO1KDM4EL3MBTL1KMT2A | |
| SCHEMBL8106329 | 0.82 | THRA (0.39) | ALDH1A1KMT2AMAPTHPGDMEN1 | |
| SCHEMBL7356480 | 0.81 | CCR5 (0.31) | — | |
| SCHEMBL6584974 | 0.79 | APP (0.40) | — | |
| SCHEMBL127280 | 0.78 | ALDH1A1 (0.39) | ALDH1A1NQO1KDM4EL3MBTL1KMT2A | |
| SCHEMBL1231501 | 0.76 | ALDH1A1 (0.38) | ALDH1A1NQO1KDM4EL3MBTL1KMT2A | |
| SCHEMBL596846 | 0.73 | L3MBTL1 (0.39) | ALDH1A1NQO1KDM4EL3MBTL1KMT2A | |
| SCHEMBL3043536 | 0.73 | ALDH1A1 (0.40) | ALDH1A1NQO1KDM4EL3MBTL1KMT2A |
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-101912400-B | 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2h-pyrido[2,3-d] pyrimidine derivatives and related compounds for the treatment of cancer | JAPAN TOBACCO INC | 2013-06-26 | — | — | CN | disclosed |
| CN-1809570-B | [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof | NIPPON KAYAKU KK | 2011-06-22 | — | — | CN | disclosed |
| CN-101912400-A | The 5-amino-2,4 that is used for the treatment of cancer, 7-trioxy--3,4,7,8-tetrahydrochysene-2H-pyrido [2,3-d] pyrimidine derivatives and related compound | JAPAN TOBACCO INC | 2010-12-15 | — | — | CN | disclosed |
| CN-101006086-B | 5-amino-2, 4, 7-trioxo-3, 4,7, 8-tetrahydro-2H-pyrido [2,3-d ] pyrimidine derivatives and related compounds for the treatment of cancer | JAPAN TOBACCO INC | 2010-09-29 | — | — | CN | disclosed |
| CN-101006086-A | 5-amino-2, 4, 7-trioxo-3, 4,7, 8-tetrahydro-2H-pyrido [2, 3-d ] pyrimidine derivatives and related compounds for the treatment of cancer | JAPAN TOBACCO INC (JP) | 2007-07-25 | — | — | CN | disclosed |