Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9722931 | 0.79 | CES2 (0.44) | IKBKBCES2CES1CLCN2HTT | |
| SCHEMBL3810854 | 0.79 | CLCN2 (0.52) | IKBKBCES2CES1CLCN2HPGD | |
| SCHEMBL9722967 | 0.77 | ALDH1A1 (0.42) | IKBKBCES2CES1CLCN2HPGD | |
| SCHEMBL9744146 | 0.76 | KDM4E (0.58) | HPGDKDM4EALDH1A1GLAGAA | |
| SCHEMBL27731731 | 0.75 | HSP90AB1 (0.43) | IKBKBCES2CES1CLCN2KDM4E | |
| SCHEMBL3811033 | 0.75 | KMT2A (0.47) | IKBKBCES2CES1CLCN2HPGD | |
| SCHEMBL9516558 | 0.73 | CES2 (0.61) | CES2CES1 | |
| SCHEMBL29798923 | 0.73 | CES2 (0.61) | CES2CES1 | |
| SCHEMBL9722911 | 0.71 | IKBKB (0.38) | IKBKBCES2CES1CLCN2KDM4E | |
| SCHEMBL9722922 | 0.71 | GABRA1 (0.41) | IKBKBCES2CES1CLCN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5079264-A | CHEMICAL PROCESS | THE BOOTS CO. PLC (GB) | 1992-01-07 | — | — | US | disclosed |
| US-5011931-A | For treatment of cardiovascular disorders; hypotensive agents | THE BOOTS COMPANY PLC (GB) | 1991-04-30 | — | — | US | disclosed |
| EP-0343206-A1 | PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS | The Boots Company PLC (GB) | 1989-11-29 | — | — | EP | disclosed |
| WO-1989004827-A1 | PROCESS FOR THE SYNTHESIS OF 3-THIO-4-QUINOLONE DERIVATIVES AND INTERMEDIATE COMPOUNDS FOR USE THEREIN, AND THEIR USE AS MEDICAMENTS | THE BOOTS COMPANY PLC (GB) | 1989-06-01 | — | — | WO | disclosed |
| EP-0317149-A1 | Process for the synthesis of 3-thio-4-quinolone derivatives and intermediate compounds for use therein, and their use as medicaments | The Boots Company PLC (GB) | 1989-05-24 | — | — | EP | disclosed |