Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 4/20 | 0.33 |
| ▸ | ATP4A | P20648 | 2/20 | 0.33 |
| ▸ | ATP4B | P51164 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512360 | 0.97 | DRD2 (0.35) | CYP2D6AAK1CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL9509499 | 0.96 | ALDH1A1 (0.36) | CYP2D6CYP3A4MCHR1AAK1KCNH2 | |
| SCHEMBL9508826 | 0.93 | AAK1 (0.36) | MCHR1AAK1KCNH2ACACB | |
| SCHEMBL9511393 | 0.93 | ALDH1A1 (0.38) | AAK1KCNH2MEN1KMT2ATDP1 | |
| SCHEMBL9510172 | 0.92 | ALDH1A1 (0.40) | KCNH2MEN1KMT2AL3MBTL1 | |
| SCHEMBL9510222 | 0.91 | ACACB (0.35) | AAK1KCNH2ACACBMEN1KMT2A | |
| SCHEMBL10514590 | 0.91 | MAPT (0.37) | AAK1KCNH2RARBACACBMEN1 | |
| SCHEMBL9512496 | 0.89 | AAK1 (0.38) | CYP2D6MCHR1AAK1CYP2C19CYP1A2 | |
| SCHEMBL9508858 | 0.88 | ACACB (0.37) | CYP2D6CYP3A4MCHR1CYP2C19CYP19A1 | |
| SCHEMBL9509982 | 0.87 | TSHR (0.39) | CYP2D6CYP3A4MCHR1ACACBL3MBTL1 |
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 |