Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8526744 | 0.94 | NPY4R (0.35) | CYP2C9CYP2C19HTTITGB1ITGA5 | |
| SCHEMBL8526260 | 0.86 | CYP2C9 (0.40) | CYP2C9CYP2C19HTTMEN1LMNA | |
| SCHEMBL8525688 | 0.85 | NPY4R (0.38) | CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL8526755 | 0.82 | NPY4R (0.35) | CYP2C9CYP2C19HTTMEN1LMNA | |
| Trifluoroacetic Acid SCHEMBL8527841 | 0.81 | NPY4R (0.36) | CYP2C9CYP2C19 | |
| SCHEMBL6898666 | 0.80 | CYP2C9 (0.45) | CYP2C9CYP2C19MEN1LMNAKMT2A | |
| SCHEMBL8526887 | 0.80 | KMT2A (0.33) | CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL8585843 | 0.78 | KMT2A (0.45) | FNTAFNTBMEN1LMNAKMT2A | |
| SCHEMBL7059809 | 0.78 | NPY1R (0.42) | MEN1KMT2ATPSAB1CNR1 | |
| SCHEMBL6899868 | 0.78 | NPY1R (0.42) | MEN1KMT2ATPSAB1CNR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885186-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997019911-A1 | AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |