Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2805756 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL185548 | 0.82 | ALDH1A1 (0.38) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL2805090 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL2812349 | 0.73 | ALDH1A1 (0.37) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL2812347 | 0.73 | ALDH1A1 (0.37) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL204488 | 0.72 | ITGA4 (0.31) | PTK2 | |
| SCHEMBL185629 | 0.71 | POLB (0.36) | ALDH1A1HPGDGAAPOLBKMT2A | |
| SCHEMBL184945 | 0.71 | MT-CO2 (0.43) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL185869 | 0.71 | ALDH1A1 (0.35) | ALDH1A1MAPTHPGDHTTNPSR1 | |
| SCHEMBL2805680 | 0.71 | ALDH1A1 (0.40) | ALDH1A1MAPTHPGDHTTNPSR1 |
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 |