Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL5539302 | 0.83 | MAPK1 (0.41) | MAPK1NPSR1KDM4CPDE10ACTSK | |
| SCHEMBL3999264 | 0.79 | PKM (0.44) | MAPK1NPSR1KDM4CPKMKDM4E | |
| SCHEMBL3338970 | 0.76 | MAPK1 (0.43) | MAPK1NPSR1KDM4CPDE10APKM | |
| SCHEMBL27817856 | 0.76 | CTSK (0.40) | MAPK1NPSR1KDM4CPDE10ACTSK | |
| Butane SCHEMBL6637948 | 0.73 | SMN1; SMN2 (0.57) | MAPK1KDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL27901729 | 0.72 | MAPK1 (0.36) | MAPK1NPSR1KDM4CPDE10ACTSK | |
| SCHEMBL7279888 | 0.71 | MAPK1 (0.40) | MAPK1NPSR1CTSKPKMALOX5 | |
| Ethoxycarbonyl Group SCHEMBL27832029 | 0.69 | MAPK1 (0.36) | MAPK1NPSR1KDM4CPDE10ACTSK | |
| Butane SCHEMBL7060678 | 0.68 | ALDH1A1 (0.59) | MAPK1ALDH1A1LMNAGAASMN1; SMN2 | |
| SCHEMBL29138552 | 0.68 | CYP4F2 (0.45) | MAPK1NPSR1KDM4EALDH1A1LMNA |
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-0416393-A1 | Peptidyl difluorodiol renin inhibitors | ABBOTT LABORATORIES (US) | 1991-03-13 | — | — | EP | disclosed |
| WO-1989010751-A1 | FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS | ABBOTT LABORATORIES (US) | 1989-11-16 | — | — | WO | disclosed |
| EP-0341602-A2 | Renin-inhibiting functionalized peptidyl aminodiols and - triols | ABBOTT LABORATORIES (US) | 1989-11-15 | — | — | EP | disclosed |
| EP-0307837-A2 | Renin-inhibiting peptidyl heterocycles | ABBOTT LABORATORIES (US) | 1989-03-22 | — | — | EP | disclosed |