Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX1 | P51575 | 1/20 | 0.48 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | RHEB | Q15382 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.39 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL255377 | 0.91 | P2RX1 (0.50) | P2RX1GRIN2BTRPV1CNR1MPI | |
| SCHEMBL29893341 | 0.91 | P2RX1 (0.50) | P2RX1GRIN2BTRPV1CNR1MPI | |
| SCHEMBL27383227 | 0.82 | SLC22A12 (0.43) | P2RX1SLC22A12KAT6ASLC40A1CETP | |
| SCHEMBL2497224 | 0.81 | NPC1 (0.49) | SLC22A12GRIN2BKAT6A | |
| SCHEMBL1410607 | 0.81 | WDR5 (0.44) | P2RX1DDR1SLC22A12KAT6ASLC40A1 | |
| SCHEMBL27361117 | 0.81 | CHRM5 (0.49) | SLC22A12PTGS1KAT6A | |
| SCHEMBL1170370 | 0.79 | NR3C1 (0.46) | SLC22A12KAT6ACETP | |
| SCHEMBL442910 | 0.79 | SLC40A1 (0.48) | SLC22A12KAT6ASLC40A1CETP | |
| SCHEMBL27528814 | 0.78 | CHRM2 (0.51) | CNR1CETP | |
| SCHEMBL2001460 | 0.78 | WDR5 (0.44) | GRIN2BARKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1993364-A | Hexahydro-pyrazino[1,2-a]pyrimidine-4,7-dione derivatives substituted with amino acids | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-07-04 | — | — | CN | disclosed |
| CN-1747955-A | Nitrogen-substituted hexahydropyrazino[1,2-a]pyrimidine-4,7-dione derivatives, method for the production and use thereof as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2006-03-15 | — | — | CN | disclosed |