Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1867796 | 0.82 | CYP2D6 (0.51) | CYP2D6OPRM1KMT2ANPC1RAB9A | |
| SCHEMBL68577 | 0.81 | CYP2D6 (1.00) | CYP2D6KCNH2 | |
| SCHEMBL8294306 | 0.81 | DPP7 (0.52) | CYP2D6DRD2DRD4OPRM1DRD3 | |
| SCHEMBL8360505 | 0.80 | ALDH1A1 (0.57) | CA12CA2CA9KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL4228542 | 0.80 | ALDH1A1 (0.51) | CYP2D6KCNH2DRD2DRD4OPRM1 | |
| SCHEMBL157742 | 0.80 | KEAP1 (0.59) | CA12CA2CA9SIGMAR1GAA | |
| SCHEMBL28813550 | 0.79 | CYP2D6 (0.59) | CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL27975380 | 0.78 | KCNH2 (0.59) | CYP2D6KCNH2 | |
| SCHEMBL27759805 | 0.78 | KEAP1 (0.57) | CA12CA2CA9SIGMAR1GAA | |
| Hydrochloric Acid SCHEMBL10493762 | 0.78 | MAPT (0.59) | CA12CA2CA9SIGMAR1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0589445-B1 | Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives | BIO MEGA BOEHRINGER INGELHEIM (CA) | 1997-01-15 | — | — | EP | disclosed |
| US-5541163-A | HYPOTENSIVE AGENTS | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1996-07-30 | — | — | US | disclosed |
| WO-1994007846-A1 | RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1994-04-14 | — | — | WO | disclosed |
| EP-0589445-A1 | Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1994-03-30 | — | — | EP | disclosed |