Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.43 |
| ▸ | ADH1C | P00326 | 1/20 | 0.43 |
| ▸ | ADH1A | P07327 | 1/20 | 0.43 |
| ▸ | ADH4 | P08319 | 1/20 | 0.43 |
| ▸ | ADH7 | P40394 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30841896 | 0.98 | ADH1B (0.40) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL18111289 | 0.89 | SAT1 (0.40) | CYP2D6KMT2A | |
| SCHEMBL24842175 | 0.84 | ADH1B (0.45) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL25006761 | 0.82 | ADH1B (0.41) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL15114154 | 0.81 | ADH1B (0.42) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL24688742 | 0.78 | NCF1 (0.42) | — | |
| SCHEMBL342300 | 0.78 | ADH1B (0.48) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL25976589 | 0.77 | ADH1B (0.41) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL4120441 | 0.76 | ADH1B (0.45) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL1679033 | 0.75 | ADH1B (0.59) | ADH1BADH1CADH1AADH4ADH7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0589446-B1 | N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors | BOEHRINGER INGELHEIM CA LTD (CA) | 1997-09-03 | — | — | EP | disclosed |
| US-5565476-A | RENIN INHIBITORS FOR TREATMENT OF CONGESTIVE HEART FAILURE AND HYPERTENSION | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1996-10-15 | — | — | US | disclosed |
| US-5554634-A | HYPOTENSIVE | BIO-MEGA BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1996-09-10 | — | — | US | disclosed |
| US-5523315-A | N-(hydroxyethyl)butanediamide derivatives | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1996-06-04 | — | — | US | disclosed |
| WO-1994007845-A1 | N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1994-04-14 | — | — | WO | disclosed |
| EP-0589446-A1 | N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1994-03-30 | — | — | EP | disclosed |