Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.40 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL753988 | 0.84 | CYP1A2 (0.41) | NPC1RAB9ASMN1; SMN2EPHX2SIGMAR1 | |
| SCHEMBL755016 | 0.83 | EPHX2 (0.46) | SMN1; SMN2EPHX2ALDH1A1TSHR | |
| Cyclopropane SCHEMBL3650772 | 0.83 | EPHX2 (0.47) | EPHX2 | |
| SCHEMBL765637 | 0.81 | AR (0.43) | AREPHX2PLA2G7ALDH1A1 | |
| SCHEMBL756146 | 0.77 | EPHX2 (0.61) | NPC1RAB9ASMN1; SMN2EPHX2TDP1 | |
| SCHEMBL2852201 | 0.76 | AR (0.40) | AREPHX2PLA2G7KMT2A | |
| SCHEMBL2787692 | 0.74 | P2RX7 (0.42) | NPC1RAB9ASMN1; SMN2EPHX2ALDH1A1 | |
| SCHEMBL2542232 | 0.73 | EPHX2 (0.44) | EPHX2 | |
| SCHEMBL2787720 | 0.73 | EPHX2 (0.41) | EPHX2ALDH1A1 | |
| SCHEMBL2549180 | 0.73 | L3MBTL1 (0.45) | SMN1; SMN2EPHX2ALDH1A1 |
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 |