Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL898690 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL5291584 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL412673 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL413382 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL898377 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL899147 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL409128 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL5287687 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL5302535 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A | |
| SCHEMBL28402105 | 1.00 | ABCB11 (0.48) | ABCB11ESR1PGRCHRM2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020152206-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-07-30 | — | — | WO | disclosed |
| WO-2007006418-A1 | IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-01-18 | — | — | WO | disclosed |
| WO-2006131234-A1 | COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-12-14 | — | — | WO | disclosed |