Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6616630 | 0.79 | PTGDR2 (0.54) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL23216460 | 0.79 | PTGDR2 (0.47) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL21157883 | 0.79 | PTGDR2 (0.50) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL16954015 | 0.78 | MEN1 (0.41) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL20103281 | 0.77 | PTGDR2 (0.52) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL28706083 | 0.77 | NSD2 (0.49) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL4882683 | 0.77 | PTGDR2 (0.56) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL19846880 | 0.76 | PTGDR2 (0.48) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL4609520 | 0.75 | PTGDR2 (0.50) | PTGDR2NOS3NOS1NOS2MEN1 | |
| SCHEMBL3139821 | 0.75 | PTGDR2 (0.50) | PTGDR2NOS3NOS1NOS2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1043348-C | Asymmetrically substituted xanthines | BOEHRINGER INGELHEIM KG (DE) | 1999-05-12 | — | — | CN | disclosed |