Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9498472 | 1.00 | GRM2 (0.43) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9855852 | 1.00 | GRM2 (0.43) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9855467 | 1.00 | GRM2 (0.43) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9496312 | 1.00 | GRM2 (0.43) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9496307 | 1.00 | GRM2 (0.43) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9497068 | 0.99 | GRM2 (0.41) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9497063 | 0.99 | GRM2 (0.41) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9855177 | 0.99 | GRM2 (0.41) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9495496 | 0.95 | HRH3 (0.37) | GRM2TSHRHSD17B10HRH3FFAR1 | |
| SCHEMBL9495491 | 0.95 | HRH3 (0.37) | GRM2TSHRHSD17B10HRH3FFAR1 |
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-0306505-B1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GmbH (DE) | 1993-03-24 | — | — | EP | disclosed |
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |