Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22137620 | 1.00 | CYP2A6 (0.50) | CYP2A6MAOAMAOBCA1CA2 | |
| SCHEMBL1344485 | 0.85 | CYP2A6 (0.54) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL29489119 | 0.85 | CYP2A6 (0.54) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL22155066 | 0.84 | CYP11B1 (0.54) | MAOAMAOBCA1CA2CYP11B1 | |
| SCHEMBL22127131 | 0.84 | HRH3 (0.50) | CYP2A6MAOAMAOBCYP11B1CYP11B2 | |
| SCHEMBL13074509 | 0.80 | CYP2A6 (0.50) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL29489123 | 0.78 | CYP2A6 (0.52) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL1341822 | 0.78 | CYP2A6 (0.52) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL9633299 | 0.77 | GPR35 (0.53) | CYP2A6MAOAMAOBCA1CA2 | |
| SCHEMBL2347410 | 0.77 | CYP2A6 (0.50) | CYP2A6MAOBGPR35LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3708568-B1 | COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF | HEFEI INDUSTRIAL PHARMACEUTICAL INST CO LTD (CN) | 2022-02-09 | — | — | EP | disclosed |