Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 2/20 | 0.43 |
| ▸ | ACACA | Q13085 | 2/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 3/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 3/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 3/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865702 | 0.94 | GBA1 (0.42) | ACACBACACAGBA1CYP3A4TTK | |
| SCHEMBL8866094 | 0.94 | ACACB (0.45) | ACACBACACAGBA1TTKBRD4 | |
| SCHEMBL8866617 | 0.89 | ACACB (0.51) | ACACBACACATTK | |
| SCHEMBL8867162 | 0.87 | ACACB (0.38) | ACACBACACAGBA1TTKMIF | |
| SCHEMBL8866377 | 0.85 | ACACB (0.38) | ACACBACACATTKTLR2TLR1 | |
| SCHEMBL8867512 | 0.84 | GBA1 (0.34) | GBA1CYP3A4HDAC3HDAC1HDAC8 | |
| SCHEMBL8865835 | 0.83 | ACACB (0.49) | ACACBACACATTKHDAC1 | |
| SCHEMBL8866062 | 0.82 | ACACB (0.43) | ACACBACACATTK | |
| SCHEMBL8866110 | 0.81 | ACACB (0.41) | ACACBACACATTK | |
| SCHEMBL9229561 | 0.81 | ACACB (0.41) | ACACBACACATTK |
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 |