Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 8/20 | 0.58 |
| ▸ | RARG | P13631 | 7/20 | 0.58 |
| ▸ | RARA | P10276 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | 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 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.42 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | MDH2 | P40926 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866305 | 0.91 | RARB (0.71) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8606002 | 0.88 | RARB (0.47) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8867050 | 0.83 | RARB (0.81) | RARBRARGRARACYP3A4HDAC3 | |
| SCHEMBL8565867 | 0.82 | RARB (0.71) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8606006 | 0.81 | RARB (0.46) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL9023692 | 0.79 | RARB (0.48) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8631973 | 0.79 | RARB (0.55) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL9484975 | 0.79 | RARB (0.67) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8634168 | 0.76 | RARB (0.74) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL5737002 | 0.76 | RARB (0.52) | RARBRARGRARACYP3A4KMT2A |
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 |