Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7148942 | 1.00 | GABRA1 (0.51) | GABRA1GABRB2ESR2POLBMEN1 | |
| SCHEMBL5209911 | 0.86 | GABRA1 (0.53) | GABRA1GABRB2ESR2POLBMEN1 | |
| SCHEMBL21630425 | 0.86 | GABRA1 (0.53) | GABRA1GABRB2ESR2POLBMEN1 | |
| SCHEMBL9614880 | 0.85 | GABRA1 (0.49) | GABRA1GABRB2ESR2POLBMEN1 | |
| SCHEMBL9614879 | 0.85 | GABRA1 (0.49) | GABRA1GABRB2ESR2POLBMEN1 | |
| SCHEMBL9617330 | 0.82 | GABRA1 (0.45) | GABRA1GABRB2ESR2POLBMEN1 | |
| SCHEMBL10486877 | 0.79 | CYP2C9 (0.43) | GABRA1GABRB2ESR2POLBMEN1 | |
| Methane SCHEMBL9770170 | 0.78 | CYP2C9 (0.42) | GABRA1GABRB2ESR2POLBMEN1 | |
| SCHEMBL11054098 | 0.76 | ESR2 (0.53) | GABRA1GABRB2ESR2MEN1GAA | |
| SCHEMBL11054102 | 0.76 | ESR2 (0.53) | GABRA1GABRB2ESR2MEN1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983225-B1 | NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS | ROLIC AG (CH) | 2003-12-17 | — | — | EP | disclosed |
| EP-1295863-A1 | Liquid crystalline \"laterally polymerizable\" compounds | Rolic AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-6395351-B1 | MIXTURE; OPTICS | ROLIC AG (CH) | 2002-05-28 | — | — | US | disclosed |
| EP-0983225-A1 | NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS | Rolic AG (CH) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052905-A1 | NEW POLYMERISABLE LIQUID CRYSTALLINE COMPOUNDS | ROLIC AG (CH) | 1998-11-26 | — | — | WO | disclosed |