Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9496170 | 0.96 | GRM5 (0.35) | ALDH1A1HPGDGAAMAPTTHRB | |
| SCHEMBL9498411 | 0.93 | GRM5 (0.36) | ALDH1A1GAAMAPTGRM5 | |
| SCHEMBL9497092 | 0.89 | GRM5 (0.38) | GRM5 | |
| SCHEMBL9497884 | 0.87 | ALDH1A1 (0.34) | ALDH1A1HPGDMAPTS1PR1S1PR3 | |
| SCHEMBL9496652 | 0.86 | RAB9A (0.40) | ALDH1A1HPGDMAPTNPSR1S1PR1 | |
| SCHEMBL9498182 | 0.86 | RAB9A (0.38) | ALDH1A1HPGDMAPTS1PR1S1PR3 | |
| SCHEMBL9496009 | 0.86 | RAB9A (0.43) | ALDH1A1HPGDGAAMAPTTHRB | |
| SCHEMBL9496316 | 0.85 | RAB9A (0.42) | ALDH1A1HPGDGAAMAPTNPSR1 | |
| SCHEMBL10511057 | 0.85 | RAB9A (0.42) | ALDH1A1HPGDGAAMAPTNPSR1 | |
| SCHEMBL9497274 | 0.85 | RAB9A (0.42) | ALDH1A1HPGDGAAMAPTNPSR1 |
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 |