Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 3/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | ACACA | Q13085 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 3/20 | 0.36 |
| ▸ | TLR1 | Q15399 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8866367 | 0.94 | ACACB (0.43) | GBA1CYP3A4TTKMIFACACB | |
| SCHEMBL8867162 | 0.94 | ACACB (0.38) | GBA1TTKMIFACACBACACA | |
| SCHEMBL8866062 | 0.89 | ACACB (0.43) | TTKACACBACACA | |
| SCHEMBL8866094 | 0.87 | ACACB (0.45) | GBA1TTKACACBACACA | |
| SCHEMBL8865697 | 0.84 | TTK (0.39) | GBA1CYP3A4TTKMIFDRD2 | |
| SCHEMBL8866617 | 0.82 | ACACB (0.51) | TTKACACBACACA | |
| SCHEMBL8867167 | 0.81 | ACACB (0.34) | TTKACACBACACANPC1MAPT | |
| SCHEMBL9229561 | 0.81 | ACACB (0.41) | TTKACACBACACA | |
| SCHEMBL8866627 | 0.80 | IRAK1 (0.45) | CYP3A4ACACBACACA | |
| SCHEMBL8866377 | 0.79 | ACACB (0.38) | TTKACACBACACATLR2TLR1 |
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 |