Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | RARB | P10826 | 3/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28730706 | 0.72 | TNF (0.38) | HDAC1HDAC6GRIN1GRIN2BCTSK | |
| SCHEMBL22872137 | 0.72 | PTPN1 (0.38) | GRIN1GRIN2BMAOBHSD11B1HSD17B1 | |
| SCHEMBL16865664 | 0.69 | ALDH1A1 (0.40) | HDAC1HDAC6CYP3A4CYP2D6KDM4E | |
| SCHEMBL8984308 | 0.68 | HSD17B1 (0.55) | HSD17B10RARBRARARARGHSD17B1 | |
| SCHEMBL6418801 | 0.67 | HSD17B10 (0.55) | TSHRHSD17B10RARBRARACYP3A4 | |
| SCHEMBL2466020 | 0.67 | HSD17B10 (0.55) | TSHRHSD17B10RARBRARACYP3A4 | |
| SCHEMBL22872133 | 0.66 | RARB (0.39) | HSD17B10GRIN1GRIN2BRARBRARA | |
| SCHEMBL8984295 | 0.66 | RARB (0.47) | RARBRARARARGHSD17B2HTR2A | |
| SCHEMBL4449126 | 0.65 | HSD17B10 (0.53) | TSHRHSD17B10RARBRARACYP3A4 | |
| SCHEMBL6421748 | 0.65 | HSD17B10 (0.53) | TSHRHSD17B10RARBRARACYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9758727-B2 | Bimesogenic compounds and mesogenic media | MERCK PATENT GMBH (DE) | 2017-09-12 | — | — | US | disclosed |
| US-9758727-B2 | Bimesogenic compounds and mesogenic media | MERCK PATENT GMBH (DE) | 2017-09-12 | — | — | US | disclosed |
| EP-3087157-B1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2017-09-06 | — | — | EP | disclosed |
| US-20170002268-A1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | US | disclosed |
| US-20170002268-A1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | US | disclosed |
| WO-2015096879-A1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2015-07-02 | — | — | WO | disclosed |