Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ADCY1 | Q08828 | 5/20 | 0.38 |
| ▸ | ADCY8 | P40145 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8895858 | 0.73 | ESR1 (0.39) | ESR1ESR2HDAC6 | |
| SCHEMBL8895852 | 0.73 | ESR1 (0.39) | ESR1ESR2HDAC6 | |
| SCHEMBL9054096 | 0.73 | HDAC4 (0.42) | HDAC6RAB9ANPC1 | |
| SCHEMBL8567428 | 0.72 | ESR1 (0.40) | ESR1ESR2HDAC6 | |
| SCHEMBL8567424 | 0.72 | ESR1 (0.40) | ESR1ESR2HDAC6 | |
| SCHEMBL8566561 | 0.72 | ESR1 (0.38) | ESR1ESR2HDAC6 | |
| SCHEMBL8566564 | 0.72 | ESR1 (0.38) | ESR1ESR2HDAC6 | |
| SCHEMBL8564198 | 0.71 | ESR1 (0.41) | ESR1ESR2HDAC6 | |
| SCHEMBL8564189 | 0.71 | ESR1 (0.41) | ESR1ESR2HDAC6 | |
| SCHEMBL8562233 | 0.71 | ESR1 (0.39) | ESR1ESR2HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |