Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 6/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.36 |
| ▸ | MICA | Q29983 | 1/20 | 0.36 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL20632523 | 0.86 | ADORA2A (0.37) | NPC1SMN1; SMN2CA2CA9KMO | |
| SCHEMBL19365508 | 0.86 | FGFR4 (0.42) | HTR2AHTR2CCA2CA9KMO | |
| SCHEMBL19865040 | 0.82 | IRAK4 (0.38) | SCN9ANPC1SMN1; SMN2IRAK4HTR2A | |
| SCHEMBL19705998 | 0.81 | TRPA1 (0.38) | CA2CA9KMOADORA2ACNR1 | |
| SCHEMBL16249961 | 0.81 | IRAK4 (0.37) | SCN9ANPC1SMN1; SMN2IRAK4HTR2A | |
| SCHEMBL19669976 | 0.80 | HTR2A (0.52) | SCN9ANPC1SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL12654397 | 0.80 | FAAH (0.41) | SCN9ANPC1SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL20632880 | 0.79 | DYRK1A (0.39) | CA2CA9KMO | |
| SCHEMBL19670654 | 0.79 | CA2 (0.42) | NPC1SMN1; SMN2CA2CA9ADORA2A | |
| SCHEMBL19670295 | 0.79 | HTR2C (0.39) | HTR2AHTR2CCA2CA9KMO |
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-2997029-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2019-01-09 | — | — | EP | disclosed |