Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6589776 | 1.00 | TDP1 (0.44) | TDP1EPHX1ABCB1CYP3A4MAOA | |
| SCHEMBL6214730 | 0.81 | EPHX1 (0.40) | TDP1EPHX1MEN1GAAKMT2A | |
| SCHEMBL6590820 | 0.81 | EPHX1 (0.40) | TDP1EPHX1MEN1GAAKMT2A | |
| SCHEMBL14040699 | 0.80 | BTK (0.42) | EPHX1MAOBCA1CA2GAA | |
| SCHEMBL14131624 | 0.80 | BTK (0.42) | EPHX1MAOBCA1CA2GAA | |
| SCHEMBL4765504 | 0.80 | BTK (0.42) | EPHX1MAOBCA1CA2GAA | |
| SCHEMBL9718092 | 0.75 | EPHX1 (0.67) | TDP1EPHX1HDAC8GAA | |
| SCHEMBL31637599 | 0.75 | TDP1 (0.48) | TDP1EPHX1MAOAMAOBCA12 | |
| SCHEMBL15358145 | 0.74 | TDP1 (0.46) | TDP1EPHX1MAOAMAOBCA12 | |
| SCHEMBL28870437 | 0.73 | EPHX1 (0.50) | TDP1EPHX1MAOAMAOBCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307204-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1307204-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |