Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL3290812 | 0.79 | PYCR1 (0.35) | — | |
| SCHEMBL3928290 | 0.78 | CA12 (0.47) | — | |
| SCHEMBL19337454 | 0.77 | ALDH1A1 (0.46) | CYP2A6CYP2A13 | |
| SCHEMBL27469486 | 0.75 | PYCR1 (0.39) | CYP2A6CYP2A13 | |
| SCHEMBL27854759 | 0.75 | APP (0.44) | CYP2A6CYP2A13 | |
| SCHEMBL2552222 | 0.75 | APP (0.44) | CYP2A6CYP2A13 | |
| SCHEMBL29956555 | 0.75 | CYP2A6 (0.39) | CYP2A6 | |
| Water SCHEMBL27734904 | 0.73 | CYP2A6 (0.33) | CYP2A6CYP2A13 | |
| SCHEMBL700217 | 0.73 | ADRA2A (0.44) | — | |
| SCHEMBL25179575 | 0.71 | — | — |
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 4 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-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 |