Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 5/20 | 0.37 |
| ▸ | FSHR | P23945 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2060570 | 0.84 | ATAD2 (0.39) | CYP19A1HDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL20335480 | 0.81 | ATAD2 (0.43) | CYP19A1HDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL5736954 | 0.81 | HDAC1 (0.47) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL8310907 | 0.80 | ATAD2 (0.55) | CYP19A1HDAC1HDAC6ATAD2RXRA | |
| SCHEMBL7709931 | 0.80 | RARA (0.56) | CYP19A1HDAC1HDAC6ATAD2FSHR | |
| SCHEMBL6073600 | 0.78 | LMNA (0.51) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL9593368 | 0.78 | ALDH1A1 (0.51) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL6770006 | 0.77 | HDAC1 (0.56) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL9593493 | 0.77 | HDAC1 (0.56) | HDAC1HDAC6HDAC3HDAC4HDAC2 | |
| SCHEMBL6748962 | 0.76 | NOTUM (0.45) | HDAC1HDAC6HDAC3HDAC4HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5216148-A | Treating, preventing neoplasms, dermatoses, aging of skin | HOFFMANN-LA ROCHE INC. (US) | 1993-06-01 | — | — | US | disclosed |
| EP-0504695-A1 | New carboxamides, their preparation and pharmaceutical compositions containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1992-09-23 | — | — | EP | disclosed |