Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 5/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | DRD5 | P21918 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509319 | 0.97 | ACACB (0.33) | RAB9AACACBHRH3CYP2C9S1PR3 | |
| SCHEMBL9512338 | 0.94 | ACACB (0.34) | ACACBCYP2C9PDE4A | |
| SCHEMBL9511343 | 0.93 | CYP2C9 (0.39) | RAB9AACACBHRH3CYP2C9PDE4A | |
| SCHEMBL9512502 | 0.93 | RAB9A (0.35) | RAB9AACACBHRH3CYP2C9PDE4A | |
| SCHEMBL9510157 | 0.92 | RAB9A (0.34) | RAB9AACACBHRH3CYP2C9PDE4A | |
| SCHEMBL9509015 | 0.91 | ACACB (0.38) | ACACB | |
| SCHEMBL9509024 | 0.91 | RAB9A (0.34) | RAB9AACACBHRH3CYP2C9S1PR3 | |
| SCHEMBL9511345 | 0.91 | RAB9A (0.34) | RAB9AACACBHRH3CYP2C9S1PR3 | |
| SCHEMBL9512298 | 0.90 | RAB9A (0.38) | RAB9AACACBHRH3CYP2C9PDE4A | |
| SCHEMBL9510173 | 0.89 | CYP2C9 (0.38) | RAB9AHRH3CYP2C9S1PR3SPHK1 |
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 |