Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13170580 | 0.90 | APP (0.48) | APPFFAR1MCHR1ACACB | |
| SCHEMBL12772054 | 0.90 | CYP1A2 (0.46) | APPCYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9510200 | 0.83 | CYP1A2 (0.50) | APPCYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9511351 | 0.82 | ACHE (0.43) | APPL3MBTL1FFAR1GRM5DRD2 | |
| SCHEMBL21715143 | 0.82 | APP (0.41) | APPFFAR1MCHR1ACACB | |
| SCHEMBL8375667 | 0.80 | NQO1 (0.58) | CYP1A2CYP2D6CYP2C19TDP1L3MBTL1 | |
| SCHEMBL27803325 | 0.79 | APP (0.63) | APPMAOBMCHR1NFE2L2ACACB | |
| SCHEMBL9509270 | 0.79 | CYP2A6 (0.44) | APPMCHR1ACACB | |
| SCHEMBL3589633 | 0.78 | NQO1 (0.50) | APPTDP1MAOB | |
| SCHEMBL8379631 | 0.77 | CYP1A2 (0.51) | CYP1A2CYP2D6CYP2C19TDP1L3MBTL1 |
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 4 patents. 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 | claimed |
| EP-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |
| EP-0308438-A1 | Liquid crystal phase containing tolanes. | MERCK PATENT GMBH (DE) | 1989-03-29 | — | — | EP | disclosed |
| WO-1988007514-A1 | TOLANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |