Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 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 | |
|---|---|---|---|---|
| SCHEMBL754465 | 0.84 | AR (0.40) | EPHX2SMN1; SMN2NPC1RAB9ASIGMAR1 | |
| SCHEMBL764430 | 0.82 | SIRT1 (0.39) | EPHX2SIRT1ALDH1A1 | |
| SCHEMBL755016 | 0.81 | EPHX2 (0.46) | EPHX2SMN1; SMN2ALDH1A1 | |
| Cyclopropane SCHEMBL3650772 | 0.81 | EPHX2 (0.47) | EPHX2PPARG | |
| SCHEMBL10121383 | 0.79 | SIRT1 (0.42) | EPHX2SIRT1ALDH1A1 | |
| SCHEMBL13166418 | 0.78 | POLB (0.42) | EPHX2SIRT1KMT2A | |
| SCHEMBL13165630 | 0.77 | POLB (0.39) | EPHX2SIRT1MEN1KMT2AALDH1A1 | |
| SCHEMBL10121546 | 0.76 | L3MBTL1 (0.39) | CYP2C19EPHX2MEN1KMT2AALDH1A1 | |
| SCHEMBL13165637 | 0.76 | POLB (0.42) | EPHX2SIRT1KMT2A | |
| SCHEMBL756146 | 0.76 | EPHX2 (0.61) | EPHX2SMN1; SMN2NPC1RAB9AALDH1A1 |
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-2188254-B1 | NOVEL BRADYKININ B1-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2012-03-21 | — | — | EP | disclosed |
| EP-2188254-A1 | NOVEL BRADYKININ B1-ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009027450-A1 | NOVEL BRADYKININ B1-ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |