Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL63923 | 0.89 | LCK (0.58) | LCK | |
| SCHEMBL64992 | 0.86 | CYP1A2 (0.41) | LCKCYP1A2MAPK1 | |
| SCHEMBL3429422 | 0.84 | LCK (0.54) | LCK | |
| SCHEMBL16358701 | 0.78 | LCK (0.52) | LCK | |
| SCHEMBL64496 | 0.76 | CYP1A2 (0.44) | CYP1A2MAPK1 | |
| SCHEMBL64977 | 0.74 | LCK (0.50) | LCK | |
| SCHEMBL65324 | 0.74 | LCK (0.50) | LCK | |
| SCHEMBL714869 | 0.73 | LCK (0.76) | LCKMAPK1 | |
| SCHEMBL2425755 | 0.73 | LCK (0.68) | LCKMAPK1 | |
| SCHEMBL10051136 | 0.73 | LCK (0.76) | LCKMAPK1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | claimed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | claimed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | claimed |
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | disclosed |
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | disclosed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | disclosed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | disclosed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | disclosed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | disclosed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | disclosed |