Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | NPY4R | P50391 | 3/20 | 0.35 |
| ▸ | NPY1R | P25929 | 3/20 | 0.35 |
| ▸ | NPY2R | P49146 | 2/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.35 |
| ▸ | EPOR | P19235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112566 | 0.92 | TP53 (0.40) | TP53CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL8127029 | 0.86 | NPY1R (0.41) | NPY4RNPY1RNPY2RNPY5REPOR | |
| SCHEMBL8112784 | 0.81 | CNR1 (0.41) | EPOR | |
| SCHEMBL8122077 | 0.80 | EPOR (0.39) | NPY4RNPY1RNPY2RNPY5REPOR | |
| SCHEMBL8120666 | 0.80 | NPY4R (0.35) | NPY4RNPY1RNPY2RNPY5REPOR | |
| SCHEMBL8125787 | 0.80 | NPY4R (0.41) | NPY4RNPY1RNPY2RNPY5R | |
| SCHEMBL8122513 | 0.79 | HDAC3 (0.37) | TDP1NPY1REPOR | |
| SCHEMBL8120085 | 0.79 | CNR1 (0.36) | TDP1MEN1KMT2ANPY1REPOR | |
| SCHEMBL8119701 | 0.79 | NPY4R (0.39) | NPY4RNPY1RNPY2RNPY5R | |
| SCHEMBL8112714 | 0.78 | MEN1 (0.42) | TDP1ADRA1DADRA1AADRA1BMEN1 |
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-0680469-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | Dr. Karl Thomae GmbH (DE) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017035-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | DR. KARL THOMAE GMBH (DE) | 1994-08-04 | — | — | WO | disclosed |