Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | ESRRB | O95718 | 2/20 | 0.41 |
| ▸ | ESRRA | P11474 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29793267 | 1.00 | ESR2 (0.50) | ESR2ESR1TTRESRRBESRRA | |
| SCHEMBL29970876 | 0.86 | MEN1 (0.46) | ESR2ESR1ESRRBESRRACYP1A2 | |
| SCHEMBL9814961 | 0.85 | ESR1 (0.47) | ESR2ESR1TTRESRRBESRRA | |
| SCHEMBL28378971 | 0.82 | HSD17B2 (0.53) | ESR2ESR1CYP1A2CYP3A4 | |
| SCHEMBL30530215 | 0.82 | HSD17B2 (0.53) | ESR2ESR1CYP1A2CYP3A4 | |
| SCHEMBL28254806 | 0.81 | ESR2 (0.50) | ESR2ESR1TTRPDE3BPDE3A | |
| SCHEMBL14780978 | 0.81 | ESR2 (0.50) | ESR2ESR1TTRPDE3BPDE3A | |
| SCHEMBL12824284 | 0.78 | CYP1A2 (0.50) | CYP1A2NPC1POLBMEN1GAA | |
| SCHEMBL6230105 | 0.78 | CYP1A2 (0.59) | PDE3BPDE3ACYP1A2NPC1MEN1 | |
| SCHEMBL9697024 | 0.78 | CYSLTR1 (0.42) | CYP1A2NPC1MEN1GAAKMT2A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5444071-A | Hypotensive agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-08-22 | — | — | US | claimed |
| EP-0412848-B1 | Quinoline derivatives, process for their preparation and their use as medicaments | ICI PLC (GB) | 1995-01-18 | — | — | EP | claimed |
| CN-1050187-A | New quinoline compound and preparation method thereof | ICI PLC (GB) | 1991-03-27 | — | — | CN | claimed |
| EP-0412848-A2 | Quinoline derivatives, process for their preparation and their use as medicaments | ZENECA LIMITED (GB) | 1991-02-13 | — | — | EP | claimed |
| EP-0470795-B2 | Process for the manufacture of nitriles | AVECIA LTD (GB) | 2001-02-21 | — | — | EP | disclosed |
| US-5444071-A | Hypotensive agent | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-08-22 | — | — | US | disclosed |
| EP-0470795-B1 | Process for the manufacture of nitriles | ZENECA LTD (GB) | 1995-01-25 | — | — | EP | disclosed |
| EP-0470794-B1 | Process for the preparation of nitriles | ZENECA LTD (GB) | 1995-01-25 | — | — | EP | disclosed |
| EP-0412848-B1 | Quinoline derivatives, process for their preparation and their use as medicaments | ICI PLC (GB) | 1995-01-18 | — | — | EP | disclosed |
| CN-1059516-A | The preparation method of biphenylcarbonitriles | ICI LTD (GB) | 1992-03-18 | — | — | CN | disclosed |
| CN-1058965-A | The method for preparing new quinoline | ICI PLC (GB) | 1992-02-26 | — | — | CN | disclosed |
| WO-1992002508-A1 | PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-20 | — | — | WO | disclosed |
| EP-0470795-A1 | Process for the manufacture of nitriles | ZENECA LIMITED (GB) | 1992-02-12 | — | — | EP | disclosed |
| EP-0470794-A1 | Process for the preparation of nitriles | ZENECA LIMITED (GB) | 1992-02-12 | — | — | EP | disclosed |
| CN-1050187-A | New quinoline compound and preparation method thereof | ICI PLC (GB) | 1991-03-27 | — | — | CN | disclosed |
| EP-0412848-A2 | Quinoline derivatives, process for their preparation and their use as medicaments | ZENECA LIMITED (GB) | 1991-02-13 | — | — | EP | disclosed |