Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | TPH1 | P17752 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL9272277 | 1.00 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8120166 | 0.91 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9198391 | 0.89 | CNR1 (0.35) | HDAC7KMT2AC3AR1CNR1CNR2 | |
| SCHEMBL9201473 | 0.85 | MEN1 (0.52) | KMT2AMEN1CRHBPCRHR2 | |
| SCHEMBL9201203 | 0.85 | MEN1 (0.52) | KMT2AMEN1CRHBPCRHR2 | |
| SCHEMBL9200838 | 0.83 | CNR1 (0.42) | KMT2AC3AR1CNR1CNR2MEN1 | |
| SCHEMBL9195693 | 0.82 | NPY1R (0.42) | CNR1CNR2NPY1R | |
| SCHEMBL9201122 | 0.81 | TDP1 (0.48) | KMT2ACNR1CYP2D6MEN1 | |
| SCHEMBL9199526 | 0.81 | CNR1 (0.43) | CNR1CNR2NPY1R | |
| SCHEMBL9275609 | 0.81 | CYP2C9 (0.38) | KMT2ACNR1CNR2MEN1 |
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 |