Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.32 |
| ▸ | RARA | P10276 | 3/20 | 0.31 |
| ▸ | RARB | P10826 | 3/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.31 |
| ▸ | RARG | P13631 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6606402 | 0.92 | RARB (0.39) | HDAC1HDAC6CYP3A4KDM1ARARA | |
| SCHEMBL6605497 | 0.80 | KDM1A (0.40) | HDAC1HDAC6KDM1ARARARARB | |
| SCHEMBL4847633 | 0.76 | HDAC1 (0.39) | HDAC1HDAC6PKMCYP3A4KDM1A | |
| SCHEMBL11924574 | 0.76 | KDM1A (0.46) | HDAC1HDAC6KDM1ARARARARB | |
| SCHEMBL4853701 | 0.73 | HDAC1 (0.39) | HDAC1HDAC6PKMCYP3A4KDM1A | |
| SCHEMBL4853714 | 0.73 | HDAC1 (0.39) | HDAC1HDAC6PKMCYP3A4KDM1A | |
| SCHEMBL4853709 | 0.73 | HDAC1 (0.39) | HDAC1HDAC6PKMCYP3A4KDM1A | |
| SCHEMBL4848988 | 0.69 | KDM1A (0.40) | HDAC1HDAC6KDM1ARARBRARG | |
| SCHEMBL4843508 | 0.68 | RARB (0.47) | CYP3A4KDM1ARARARARBCYP26A1 | |
| SCHEMBL4844192 | 0.68 | KDM1A (0.39) | KDM1ARARARARBRARG |
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-1442032-A1 | HETEROCYCLIC RETINOID COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037882-A1 | HETEROCYCLIC RETINOID COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-08 | — | — | WO | disclosed |