Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28477358 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL2017485 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL783254 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL29945235 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL23457112 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL10928549 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL23557563 | 0.72 | ESR1 (0.41) | MAOATSHRMAPT | |
| SCHEMBL4876931 | 0.72 | ALDH1A1 (0.46) | ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8723541 | 0.71 | ALDH1A1 (0.41) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL17937684 | 0.71 | ALDH1A1 (0.41) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 |
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-5760267-A | FROM 1-HALO-3-TRIALKYLSILYLBENZENES | HOECHST MARION ROUSSEL INC. (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0833829-A1 | A PROCESS FOR PREPARING 1-(3-TRIALKYLSILYLPHENYL)-2,2,2-TRIFLUOROMETHYL ETHANONE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1998-04-08 | — | — | EP | disclosed |
| EP-0791001-A1 | PROCESS FOR THE PREPARATION OF 1-HALO-3-TRIALKYLSILANYL-BENZENE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-27 | — | — | EP | disclosed |
| WO-1997000877-A1 | A PROCESS FOR PREPARING 1-(3-TRIALKYLSILYLPHENYL)-2,2,2-TRIFLUOROMETHYL ETHANONE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1997-01-09 | — | — | WO | disclosed |
| EP-0749972-A1 | A process for preparing 1-(3-trialkylsilylphenyl)-2,2,2-trifluoromethyl ethanone derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1996-12-27 | — | — | EP | disclosed |
| WO-1996014322-A1 | PROCESS FOR THE PREPARATION OF 1-HALO-3-TRIALKYLSILANYL-BENZENE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1996-05-17 | — | — | WO | disclosed |
| US-5486638-A | DEHALOGENATION AND FORMATION OF SILYL BOND ON BENZENE RING | MARION MERRELL DOW INC. (US) | 1996-01-23 | — | — | US | disclosed |