Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 5/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.38 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855235 | 0.99 | ACACB (0.43) | ACACBNR5A1MCHR1LTA4HCYP3A4 | |
| SCHEMBL10511071 | 0.99 | ACACB (0.43) | ACACBNR5A1MCHR1LTA4HCYP3A4 | |
| SCHEMBL9855160 | 0.99 | ACACB (0.43) | ACACBNR5A1MCHR1LTA4HCYP3A4 | |
| SCHEMBL9854873 | 0.99 | ACACB (0.43) | ACACBNR5A1MCHR1LTA4HCYP3A4 | |
| SCHEMBL9855194 | 0.97 | ACACB (0.43) | ACACBNR5A1MCHR1CYP3A4CYP2D6 | |
| SCHEMBL9855137 | 0.96 | ACACB (0.42) | ACACBNR5A1MCHR1CYP3A4ALDH1A1 | |
| SCHEMBL9855162 | 0.96 | ACACB (0.42) | ACACBNR5A1MCHR1CYP3A4ALDH1A1 | |
| SCHEMBL9855464 | 0.96 | ACACB (0.42) | ACACBNR5A1MCHR1CYP3A4ALDH1A1 | |
| SCHEMBL9855008 | 0.96 | ACACB (0.45) | ACACBNR5A1MCHR1LTA4HCYP3A4 | |
| SCHEMBL9855408 | 0.93 | ACACB (0.43) | ACACBMCHR1CYP3A4CYP2D6CYP19A1 |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |