Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MMP14 | P50281 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL186441 | 0.86 | GAA (0.60) | NR4A1GAAALDH1A1TDP1MAPT | |
| SCHEMBL25634740 | 0.86 | GAA (0.80) | NR4A1GAAALDH1A1TDP1MAPT | |
| SCHEMBL9629642 | 0.83 | GAA (0.65) | GAAALDH1A1TDP1MAPTRAB9A | |
| SCHEMBL21131527 | 0.80 | GAA (0.61) | NR4A1GAAALDH1A1TDP1MAPT | |
| SCHEMBL11555581 | 0.80 | GAA (0.61) | GAAALDH1A1TDP1MAPTRAB9A | |
| SCHEMBL29764005 | 0.80 | ALDH1A1 (0.50) | GAAALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL29595 | 0.80 | ALDH1A1 (0.50) | GAAALDH1A1TDP1MAPTKDM4E | |
| SCHEMBL2952972 | 0.79 | GAA (0.75) | GAAALDH1A1TDP1MAPTRAB9A | |
| SCHEMBL6999192 | 0.79 | GAA (0.75) | GAAALDH1A1TDP1MAPTRAB9A | |
| SCHEMBL11206431 | 0.79 | GAA (0.65) | GAAALDH1A1TDP1MAPTKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |