Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 2/20 | 0.48 |
| ▸ | RARG | P13631 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 6/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 3/20 | 0.33 |
| ▸ | CMA1 | P23946 | 2/20 | 0.33 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.32 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL8630760 | 0.88 | RARB (0.61) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL8629043 | 0.80 | RARB (0.50) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL2242664 | 0.77 | CYP1A2 (0.49) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL8867050 | 0.76 | RARB (0.81) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL23078930 | 0.76 | HDAC3 (0.49) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL248152 | 0.76 | CMA1 (0.54) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL12072390 | 0.76 | HDAC3 (0.46) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL1771822 | 0.76 | CA9 (0.49) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL5643759 | 0.76 | PGR (0.51) | RARBRARGHDAC3HDAC4HDAC1 | |
| SCHEMBL17675519 | 0.76 | HDAC3 (0.46) | RARBRARGHDAC3HDAC4HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0825986-A1 | QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1998-03-04 | — | — | EP | disclosed |
| US-5616712-A | SKIN DISORDERS; ANTICARCINOGENIC AND -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; | ALLERGAN (US) | 1997-04-01 | — | — | US | disclosed |
| WO-1996036609-A1 | QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-11-21 | — | — | WO | disclosed |