Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.30 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL24962101 | 0.79 | NUDT1 (0.42) | JAK2JAK1JAK3PTGDR2NUDT1 | |
| SCHEMBL8264162 | 0.71 | OPRL1 (0.38) | SCN9A | |
| SCHEMBL2748088 | 0.68 | HTR2A (0.39) | NUDT1BACE1HTR2AEPHX2DPP4 | |
| SCHEMBL11702604 | 0.66 | NUDT1 (0.44) | JAK2JAK1JAK3PTGDR2NUDT1 | |
| SCHEMBL23441849 | 0.66 | OPRL1 (0.39) | PTGDR2NUDT1BACE1PTGDR | |
| SCHEMBL12354267 | 0.66 | CHRNB2 (0.40) | PTGDR2NUDT1BACE1PTGDRHTR2A | |
| SCHEMBL11366020 | 0.65 | NUDT1 (0.43) | PTGDR2NUDT1BACE1 | |
| SCHEMBL14314452 | 0.65 | NUDT1 (0.46) | JAK2JAK1JAK3PTGDR2NUDT1 | |
| SCHEMBL16014088 | 0.65 | NUDT1 (0.45) | PTGDR2NUDT1BACE1PTGDR | |
| SCHEMBL10776428 | 0.64 | NUDT1 (0.42) | JAK2JAK1JAK3PTGDR2NUDT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2367800-B1 | SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | BOEHRINGER INGELHEIM INT (DE) | 2018-02-28 | — | — | EP | disclosed |