Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4958747 | 0.92 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1SIGMAR1RORC | |
| SCHEMBL1980509 | 0.91 | RORC (0.40) | ALDH1A1MAPK1L3MBTL1SIGMAR1RORC | |
| SCHEMBL15879913 | 0.78 | CHRM5 (0.46) | ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL20582129 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1SIGMAR1RORC | |
| SCHEMBL16665613 | 0.74 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1TDP1SLC6A2 | |
| SCHEMBL15479668 | 0.74 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1SIGMAR1TDP1 | |
| SCHEMBL19031238 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPK1L3MBTL1SIGMAR1RORC | |
| SCHEMBL3991791 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPK1L3MBTL1SIGMAR1RORC | |
| SCHEMBL10107202 | 0.72 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1SIGMAR1TDP1 | |
| SCHEMBL20400952 | 0.72 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1SIGMAR1TDP1 |
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-2512239-A1 | BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | Inspire Pharmaceuticals, Inc. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011075415-A1 | BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | INSPIRE PHARMACEUTICALS, INC. (US) | 2011-06-23 | — | — | WO | disclosed |