Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 10/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 10/20 | 0.51 |
| ▸ | CNR2 | P34972 | 4/20 | 0.51 |
| ▸ | CNR1 | P21554 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | PPARD | Q03181 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19884557 | 0.84 | GABRA1 (0.38) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL803252 | 0.81 | ALDH1A1 (0.42) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL18134247 | 0.80 | ALDH1A1 (0.41) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL20012965 | 0.79 | CHKA (0.35) | ALDH1A1GAAMAPTKDM4EALOX5 | |
| SCHEMBL9419251 | 0.77 | TRPA1 (0.44) | CNR2CNR1ALDH1A1ALOX5AR | |
| SCHEMBL20013041 | 0.77 | ALDH1A1 (0.41) | GABRA1GABRB2ALDH1A1MEN1KMT2A | |
| SCHEMBL9259062 | 0.77 | GABRA1 (0.45) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL18134259 | 0.76 | ALDH1A1 (0.53) | GABRA1GABRB2CNR2ALDH1A1MEN1 | |
| SCHEMBL9282221 | 0.76 | GABRA1 (0.44) | GABRA1GABRB2CNR2CNR1ALDH1A1 | |
| SCHEMBL9879571 | 0.75 | CYP3A4 (0.55) | GABRA1GABRB2CNR2CNR1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| EP-0332025-B1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES | MERCK PATENT GmbH (DE) | 1993-06-23 | — | — | EP | disclosed |
| EP-0370081-A1 | CHIRAL OR ACHIRAL CYCLIC COMPOUNDS | MERCK PATENT GmbH (DE) | 1990-05-30 | — | — | EP | disclosed |
| EP-0357739-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK PATENT GmbH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989009764-A1 | CHIRAL OR ACHIRAL CYCLIC COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-10-19 | — | — | WO | disclosed |
| WO-1989008639-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332025-A1 | Chiral derivatives of 1,2-difluorobenzenes | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |