Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.35 |
| ▸ | CCR2 | P41597 | 3/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27146891 | 1.00 | VSIR (0.37) | VSIRTP53PTGES2CCR2FABP4 | |
| SCHEMBL29335302 | 0.80 | PTGES2 (0.41) | PTGES2CCR2FABP4IDH1SLC40A1 | |
| SCHEMBL29335303 | 0.78 | ACLY (0.39) | PTGES2CCR2FABP4IDH1SLC40A1 | |
| SCHEMBL29335256 | 0.78 | SLC40A1 (0.54) | TP53PTGES2CCR2SLC40A1POLB | |
| SCHEMBL30681721 | 0.77 | CA1 (0.37) | TP53PTGES2CCR2ERN1EIF2AK3 | |
| SCHEMBL27147321 | 0.77 | CA1 (0.37) | TP53PTGES2CCR2ERN1EIF2AK3 | |
| SCHEMBL29335304 | 0.76 | CCR2 (0.44) | TP53PTGES2CCR2ERN1SLC40A1 | |
| SCHEMBL29335307 | 0.76 | SLC40A1 (0.43) | PTGES2ERN1SLC40A1CYP2C9 | |
| SCHEMBL3022491 | 0.76 | PTGES2 (0.52) | PTGES2CCR2FABP4TSHRHPGD | |
| SCHEMBL29335255 | 0.75 | SLC40A1 (0.51) | PTGES2CCR2SLC40A1 |
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-117177973-A | Pyrido [3,2-D ] pyrimidine compounds and their use for the treatment of proliferative disorders | 蒙特利尔大学 | 2023-12-05 | — | — | CN | disclosed |