Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18198134 | 0.94 | KDM4E (0.54) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL18198060 | 0.92 | KDM4E (0.56) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL18198133 | 0.88 | TDP1 (0.44) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL3618605 | 0.84 | KDM4E (0.54) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL18191621 | 0.82 | TDP1 (0.50) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL12765258 | 0.82 | TDP1 (0.50) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL23547614 | 0.80 | TDP1 (0.48) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL15374834 | 0.79 | TDP1 (0.41) | TDP1KDM4EPOLBALDH1A1CYP3A4 | |
| SCHEMBL3229640 | 0.78 | — | — | |
| SCHEMBL5483953 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4805909-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| EP-1725522-A1 | ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-29 | — | — | EP | claimed |
| WO-2005085185-A1 | ANILINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-15 | — | — | WO | claimed |