Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | GNA11 | P29992 | 1/20 | 0.34 |
| ▸ | GNAQ | P50148 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866062 | 0.86 | ACACB (0.43) | GPR119TTK | |
| SCHEMBL8867167 | 0.82 | ACACB (0.34) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8867360 | 0.81 | HDAC4 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8867162 | 0.81 | ACACB (0.38) | TTK | |
| Trifluoroacetic Acid SCHEMBL8867001 | 0.80 | DPP4 (0.37) | RORCGNA11GNAQWDR5KDM4E | |
| SCHEMBL8867355 | 0.79 | CHRM1 (0.41) | SCN9ASCN3ASCN5AMAPTWDR5 | |
| SCHEMBL8865843 | 0.79 | ACACB (0.36) | SCN9ASCN3ASCN5AHDAC4HDAC6 | |
| SCHEMBL8865702 | 0.79 | GBA1 (0.42) | HDAC6MAPTKDM4ETTK | |
| SCHEMBL8866617 | 0.79 | ACACB (0.51) | TTK | |
| SCHEMBL8867154 | 0.77 | TTK (0.38) | SCN9ASCN3ASCN5AHDAC4HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |