Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 9/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL659899 | 0.95 | CA12 (0.49) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL658209 | 0.83 | MEN1 (0.44) | ALDH1A1MAPTNPC1RAB9AMEN1 | |
| SCHEMBL595873 | 0.77 | ALDH1A1 (0.86) | ALDH1A1MAPTNPC1RAB9AMCL1 | |
| SCHEMBL9650808 | 0.77 | ALDH1A1 (0.86) | ALDH1A1MAPTNPC1RAB9AMCL1 | |
| SCHEMBL2831148 | 0.77 | ALDH1A1 (0.64) | ALDH1A1MAPTNPC1RAB9AMCL1 | |
| Ammonia Solution, Strong SCHEMBL1663962 | 0.75 | ALDH1A1 (0.82) | ALDH1A1MAPTNPC1RAB9AMCL1 | |
| 4-Nitroaniline SCHEMBL13529022 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MAPTRAB9AMEN1KMT2A | |
| 4-Nitroaniline SCHEMBL16451 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL9065915 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MAPTRAB9AMEN1KMT2A | |
| 4-Nitroaniline SCHEMBL27963818 | 0.75 | ALDH1A1 (1.00) | ALDH1A1MAPTRAB9AMEN1KMT2A |
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-2099457-A2 | CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | Inspire Pharmaceuticals, Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008077057-A2 | CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE | INSPIRE PHARMACEUTICALS, INC. (US) | 2008-06-26 | — | — | WO | disclosed |