Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | CBFB | Q13951 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL810884 | 0.84 | NOS3 (0.61) | NOS3NOS2ADRB1GRM5MAPK1 | |
| SCHEMBL15624407 | 0.77 | NOS3 (0.53) | NOS3NOS2ADRB1GRM5MAPK1 | |
| SCHEMBL24363083 | 0.74 | KDM4E (0.54) | NOS3NOS2ADRB1GRM5MAPK1 | |
| SCHEMBL16545818 | 0.74 | CCR1 (0.65) | NOS3NOS2ADRB1MEN1ALDH1A1 | |
| SCHEMBL12074960 | 0.73 | NOS3 (0.48) | NOS3NOS2ADRB1MAPK1KMT2A | |
| SCHEMBL19258816 | 0.72 | NOS3 (0.52) | NOS3NOS2ADRB1MAPK1KMO | |
| SCHEMBL27764812 | 0.72 | KIF11 (0.52) | NOS3NOS2ABL1BCR | |
| SCHEMBL24363113 | 0.71 | NOS3 (0.47) | NOS3NOS2ADRB1GRM5MAPK1 | |
| SCHEMBL10052121 | 0.71 | NOS3 (0.47) | NOS3NOS2ADRB1GRM5ADRB2 | |
| SCHEMBL3161378 | 0.71 | NOS3 (0.43) | NOS3NOS2GRM5ABL1BCR |
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-2854948-B1 | METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE | MCFARLAND SHERRI ANN (CA) | 2019-09-25 | — | — | EP | disclosed |