Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 5/20 | 0.38 |
| ▸ | ACACB | O00763 | 4/20 | 0.34 |
| ▸ | ACACA | Q13085 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.34 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | GNA11 | P29992 | 1/20 | 0.33 |
| ▸ | GNAQ | P50148 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865697 | 0.94 | TTK (0.39) | TTKBRD4MIF | |
| SCHEMBL8867351 | 0.85 | ATR (0.38) | TTKACACBACACAATRIRAK1 | |
| SCHEMBL8867162 | 0.83 | ACACB (0.38) | TTKACACBACACAIRAK1MIF | |
| SCHEMBL8866062 | 0.81 | ACACB (0.43) | TTKACACBACACAIRAK1 | |
| SCHEMBL8865702 | 0.78 | GBA1 (0.42) | TTKACACBACACAHDAC6MIF | |
| SCHEMBL8867360 | 0.78 | HDAC4 (0.36) | TTKHDAC4HDAC6GNA11GNAQ | |
| SCHEMBL8866628 | 0.77 | GNA11 (0.37) | ACACBACACAGNA11GNAQSCN9A | |
| SCHEMBL8866833 | 0.77 | CA12 (0.38) | TTKHDAC4HDAC6GNA11GNAQ | |
| SCHEMBL8866094 | 0.76 | ACACB (0.45) | TTKACACBACACAIRAK1BRD4 | |
| SCHEMBL8865843 | 0.75 | ACACB (0.36) | TTKACACBACACAHDAC4HDAC6 |
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 |