Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | G6PD | P11413 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28198168 | 0.80 | ALDH1A1 (0.34) | NSD2CASP6ALDH1A1TDP1KMT2A | |
| SCHEMBL13085735 | 0.79 | NOS3 (0.43) | NOS3NOS1NOS2CASP6ALDH1A1 | |
| SCHEMBL30211301 | 0.79 | NOS3 (0.43) | NOS3NOS1NOS2CASP6ALDH1A1 | |
| SCHEMBL8653061 | 0.78 | PSMD14 (0.41) | NOS3NOS1NOS2ALDH1A1HSP90AA1 | |
| SCHEMBL27592896 | 0.76 | PLAU (0.43) | NSD2CASP6G6PDKMT2ALMNA | |
| SCHEMBL16771464 | 0.74 | NR4A2 (0.38) | NOS3NOS1NOS2CASP6GRIN2D | |
| SCHEMBL18824880 | 0.73 | NOS3 (0.39) | NOS3NOS1NOS2ALDH1A1NR4A2 | |
| SCHEMBL31281606 | 0.72 | NR4A2 (0.37) | NOS3NOS1NOS2CASP6ALDH1A1 | |
| SCHEMBL29124230 | 0.72 | NR4A2 (0.38) | NOS3NOS1NOS2CASP6G6PD | |
| SCHEMBL6302317 | 0.72 | MEN1 (0.44) | ALDH1A1KMT2ALMNAMEN1MAPT |
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-104755465-A | Heterocyclic compounds | TAKEDA PHARMACEUTICAL | 2015-07-01 | — | — | CN | disclosed |