Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30041675 | 0.83 | PDE1C (0.57) | CYP11B1CYP11B2KDM4EALOX15HTT | |
| SCHEMBL23125693 | 0.83 | CYP11B1 (0.48) | CYP11B1CYP11B2KDM4EALOX15HTT | |
| SCHEMBL1144917 | 0.83 | PDE1C (0.57) | CYP11B1CYP11B2KDM4EALOX15HTT | |
| SCHEMBL28944954 | 0.82 | CYP11B1 (0.47) | CYP11B1CYP11B2KDM4EALOX15HTT | |
| SCHEMBL30630644 | 0.82 | CYP11B1 (0.50) | CYP11B1CYP11B2KDM4EALOX15HTT | |
| SCHEMBL16292563 | 0.81 | HCAR3 (0.41) | KDM4EHTTFGFR1MAOBMAOA | |
| SCHEMBL6395502 | 0.81 | CHEK1 (0.60) | CYP11B1CYP11B2KDM4EALOX15HTT | |
| SCHEMBL14863707 | 0.80 | KDM4E (0.46) | KDM4ELCKFGFR1MAOBMAOA | |
| SCHEMBL15657915 | 0.79 | EZH2 (0.51) | CYP11B1CYP11B2KDM4EALOX15HTT | |
| SCHEMBL20594117 | 0.79 | KDM4E (0.54) | CYP11B1CYP11B2KDM4EALOX15HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104024258-A | Pyrrolopyrazine kinase inhibitors | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |