Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.40 |
| ▸ | ACACB | O00763 | 4/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9713235 | 0.87 | GRM5 (0.37) | GRM5ACACBMCHR1 | |
| SCHEMBL9713366 | 0.85 | ACACB (0.49) | GRM5ACACBADRB3TSPOKCNH2 | |
| SCHEMBL9713010 | 0.83 | ACACB (0.49) | ACACBMCHR1RXRAGRIN1GRIN2B | |
| SCHEMBL9816286 | 0.83 | ACACB (0.52) | ACACBMCHR1 | |
| SCHEMBL17225200 | 0.82 | ACACB (0.48) | GRM5ACACBKCNH2MCHR1GPR3 | |
| SCHEMBL9713133 | 0.82 | RXRA (0.41) | GRM5ACACBADRB3TSPOKCNH2 | |
| SCHEMBL4147154 | 0.81 | MCHR1 (0.53) | GRM5ACACBKCNH2MCHR1 | |
| SCHEMBL9713293 | 0.81 | ACACB (0.51) | ACACBMCHR1KMT2A | |
| SCHEMBL9712769 | 0.81 | ACACB (0.56) | ACACBMCHR1 | |
| SCHEMBL14129682 | 0.81 | GRM5 (0.53) | GRM5ACACBKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5164114-A | LIQUID CRYSTAL | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1992-11-17 | — | — | US | disclosed |
| EP-0306521-B1 | ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1991-10-16 | — | — | EP | disclosed |
| EP-0306521-A1 | ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007516-A1 | ETHINE DERIVATIVES AS COMPOUNDS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |