Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | UGCG | Q16739 | 2/20 | 0.39 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21068792 | 0.88 | TSHR (0.47) | KDM4EPOLBTSHRPTPN2PTPN1 | |
| SCHEMBL21068743 | 0.86 | TSHR (0.45) | KDM4EPOLBTSHRPTPN2PTPN1 | |
| SCHEMBL9237332 | 0.86 | KDM4E (0.50) | KDM4EPOLBTSHRPTPN2PTPN1 | |
| SCHEMBL30782112 | 0.83 | KDM4E (0.47) | KDM4EPOLBTSHRPTPN2PTPN1 | |
| SCHEMBL9836818 | 0.82 | TSHR (0.48) | KDM4EPOLBTSHRPTPN2PTPN1 | |
| SCHEMBL8352025 | 0.81 | KDM4E (0.53) | KDM4EPOLBTSHRCA1CHRM3 | |
| SCHEMBL9241218 | 0.81 | KDM4E (0.53) | KDM4EPOLBTSHRCA1CHRM3 | |
| SCHEMBL9276198 | 0.81 | KDM4E (0.62) | KDM4EPOLBTSHRCA1UGCG | |
| SCHEMBL21068524 | 0.81 | KDM4E (0.50) | KDM4EPOLBTSHRPTPN2PTPN1 | |
| SCHEMBL28776126 | 0.81 | TSHR (0.56) | KDM4EPOLBTSHRPTPN2PTPN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0335770-B1 | Novel fluorophosphonate nucleotide derivatives | MERRELL PHARMA INC (US) | 1997-01-15 | — | — | EP | disclosed |
| EP-0215319-B1 | GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4914240-A | PROTECTING DIHALO BUTANEDIOL, REACTING WITH POTASSIUM PHTHALIMINDE, DEPROTECTING; MULTISTEP | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-04-03 | — | — | US | disclosed |
| EP-0339161-A1 | Novel fluorophosphonate nucleotide derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-11-02 | — | — | EP | disclosed |
| EP-0335770-A2 | Novel fluorophosphonate nucleotide derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1989-10-04 | — | — | EP | disclosed |
| US-4851448-A | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-07-25 | — | — | US | disclosed |
| US-4695654-A | ANTITUMOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-22 | — | — | US | disclosed |
| EP-0215319-A2 | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-03-25 | — | — | EP | disclosed |