Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL185364 | 0.91 | SIGMAR1 (0.45) | SIGMAR1ALDH1A1POLBGAAEPHX2 | |
| SCHEMBL186742 | 0.90 | SIGMAR1 (0.41) | SIGMAR1ALDH1A1POLBGAAEPHX2 | |
| SCHEMBL185704 | 0.89 | FASN (0.43) | SIGMAR1ALDH1A1POLBGAAEPHX2 | |
| SCHEMBL186097 | 0.88 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1POLBGAAEPHX2 | |
| SCHEMBL186322 | 0.87 | SIGMAR1 (0.45) | SIGMAR1ALDH1A1POLBGAAEPHX2 | |
| SCHEMBL185935 | 0.86 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1POLBGAAEPHX2 | |
| SCHEMBL185464 | 0.86 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1POLBGAAPKM | |
| SCHEMBL185809 | 0.86 | SIGMAR1 (0.45) | SIGMAR1POLBGAAEPHX2PKM | |
| SCHEMBL185673 | 0.84 | POLB (0.45) | SIGMAR1ALDH1A1POLBGAAEPHX2 | |
| SCHEMBL2809792 | 0.79 | ALDH1A1 (0.43) | ALDH1A1POLBGAAEPHX2HPGD |
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-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |
| EP-2401256-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097372-A1 | COMPOUNDS AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |