Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9207729 | 0.87 | TSHR (0.52) | TSHRGABRA1GABRB2HTR1APOLB | |
| SCHEMBL22444498 | 0.80 | TSHR (0.50) | TSHRGABRA1GABRB2HTR1APOLB | |
| SCHEMBL7109903 | 0.78 | AOC3 (0.44) | FFAR1GPR84 | |
| SCHEMBL22444530 | 0.78 | TSHR (0.48) | TSHRGABRA1GABRB2HTR1APOLB | |
| SCHEMBL28656685 | 0.77 | TSHR (0.47) | TSHRGABRA1GABRB2HTR1APOLB | |
| SCHEMBL9757093 | 0.77 | TSHR (0.52) | TSHRGABRA1GABRB2HTR1APOLB | |
| SCHEMBL11002882 | 0.76 | MAPK1 (0.33) | TSHRGAAPPARGPPARA | |
| SCHEMBL1432767 | 0.76 | AOC3 (0.39) | TSHRPOLBLMNASMN1; SMN2KMT2A | |
| SCHEMBL9210107 | 0.75 | GABRA1 (0.54) | TSHRGABRA1GABRB2POLBLMNA | |
| SCHEMBL1838475 | 0.75 | TSHR (0.46) | TSHRGABRA1GABRB2POLBPPARG |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5475008-A | Selective non-competitive antagonists of n-methyl-d-aspartate receptors | MERCK SHARP & DOHME LIMITED (GB) | 1995-12-12 | — | — | US | disclosed |
| EP-0459561-B1 | Dioxo-tetrahydroquinoline derivatives | MERCK SHARP & DOHME (GB) | 1995-09-20 | — | — | EP | disclosed |
| EP-0614363-A1 | QUINOLONE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1994-09-14 | — | — | EP | disclosed |
| US-5268378-A | Oxo group in 2 and 4 position | MERCK SHARP & DOHME, LIMITED (GB) | 1993-12-07 | — | — | US | disclosed |
| WO-1993010783-A2 | QUINOLONE DERIVATIVES AND THEIR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-06-10 | — | — | WO | disclosed |
| EP-0459561-A2 | Dioxo-tetrahydroquinoline derivatives | MERCK SHARP & DOHME LTD. (GB) | 1991-12-04 | — | — | EP | disclosed |