Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 5/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 5/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 5/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 5/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 5/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 5/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 5/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29000962 | 0.89 | ESR2 (0.50) | ESR2ALDH1A1ESR1MAPT | |
| SCHEMBL19662088 | 0.89 | KCNH2 (0.50) | KCNH2HRH3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL23258879 | 0.80 | KCNH2 (0.40) | ALDH1A1KCNH2HRH3PRKAB2PRKAG1 | |
| SCHEMBL23250751 | 0.80 | KCNH2 (0.40) | ALDH1A1KCNH2HRH3PRKAB2PRKAG1 | |
| SCHEMBL9772734 | 0.79 | KCNH2 (0.44) | KCNH2HRH3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL9772595 | 0.79 | SLC6A2 (0.44) | ALDH1A1KCNH2HRH3PRKAB2PRKAG1 | |
| SCHEMBL6308450 | 0.79 | SLC6A2 (0.44) | KCNH2HRH3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL8266760 | 0.79 | KCNH2 (0.44) | KCNH2HRH3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL9772749 | 0.79 | SLC6A2 (0.44) | KCNH2HRH3PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL9772728 | 0.79 | KCNH2 (0.44) | KCNH2HRH3PRKAB2PRKAG1PRKAA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6812352-B2 | REACTING AN ACYCLIC, ALIPHATIC, MONOETHYLENICALLY UNSATURATED COMPOUND WITH A SOURCE OF HCN IN THE PRESENCE OF A CATALYST PRECURSOR COMPOSITION COMPRISING A LEWIS ACID, A ZERO-VALENT NICKEL, AND A MULTIDENTATE PHOSPHITE LIGAND FOR HYDROCYANATION | INVISTA NORTH AMERICA S.A.R.L. | 2004-11-02 | — | — | US | disclosed |