Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4544518 | 0.90 | NQO1 (0.52) | NQO1MEN1KMT2AKCNH2DRD2 | |
| SCHEMBL4801213 | 0.86 | NQO1 (0.61) | NQO1ACACB | |
| SCHEMBL9510143 | 0.85 | ACACB (0.52) | MEN1KMT2ACHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9511384 | 0.85 | ACACB (0.41) | GRM5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9512514 | 0.83 | ACACB (0.44) | NQO1ACACBALDH1A1MAPT | |
| SCHEMBL9511351 | 0.82 | ACHE (0.43) | GRM5FFAR1KCNH2DRD2DRD4 | |
| SCHEMBL15250522 | 0.81 | ACACB (0.49) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL15250538 | 0.81 | ACACB (0.49) | MEN1KMT2ADRD2DRD4DRD3 | |
| SCHEMBL8751807 | 0.81 | NQO1 (0.63) | NQO1CA12CA1CA2CA9 | |
| SCHEMBL9512284 | 0.80 | ACACB (0.49) | ACACBALDH1A1 |
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 3 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 | 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 |