Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.36 |
| ▸ | KLK1 | P06870 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8583619 | 0.86 | NPY1R (0.40) | KLKB1NPY1RF7 | |
| SCHEMBL4650703 | 0.85 | CHRNA1 (0.43) | NPY1RTRPV1 | |
| SCHEMBL1388759 | 0.83 | NPY1R (0.43) | NPY1RBACE1TRPV1 | |
| SCHEMBL1388311 | 0.83 | F2 (0.41) | KLKB1NPY1RF7 | |
| SCHEMBL8118561 | 0.82 | CTSD (0.48) | — | |
| SCHEMBL4651109 | 0.82 | ERCC1 (0.39) | NPY1R | |
| SCHEMBL4651769 | 0.82 | NPC1 (0.49) | KLKB1 | |
| SCHEMBL5320903 | 0.81 | REN (0.40) | TRPV1 | |
| SCHEMBL8120352 | 0.81 | CNR1 (0.49) | — | |
| SCHEMBL8119393 | 0.81 | CNR1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-H08505862-A | — | — | 1996-06-25 | — | — | JP | claimed |
| EP-0680469-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | Dr. Karl Thomae GmbH (DE) | 1995-11-08 | — | — | EP | claimed |
| WO-1994017035-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | DR. KARL THOMAE GMBH (DE) | 1994-08-04 | — | — | WO | claimed |
| 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 |