Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 10/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510222 | 0.97 | ACACB (0.35) | AAK1ACACBALDH1A1POLBMAPT | |
| SCHEMBL9509953 | 0.93 | CYP2D6 (0.37) | AAK1MCHR1ACACBKCNH2 | |
| SCHEMBL9509499 | 0.92 | ALDH1A1 (0.36) | AAK1MCHR1ALDH1A1MAPTKCNH2 | |
| SCHEMBL9512360 | 0.90 | DRD2 (0.35) | AAK1ACACBALDH1A1MAPTKCNH2 | |
| SCHEMBL9512496 | 0.90 | AAK1 (0.38) | AAK1MCHR1ALDH1A1POLBMAPT | |
| SCHEMBL9511393 | 0.89 | ALDH1A1 (0.38) | AAK1ALDH1A1MAPTKCNH2 | |
| SCHEMBL9510172 | 0.88 | ALDH1A1 (0.40) | ALDH1A1MAPTKCNH2 | |
| SCHEMBL9509358 | 0.88 | ACACB (0.37) | MCHR1ACACB | |
| SCHEMBL9509326 | 0.87 | AR (0.37) | AAK1ALDH1A1POLBMAPTKCNH2 | |
| SCHEMBL9508712 | 0.87 | ACACB (0.41) | ACACB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |