Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 10/20 | 0.46 |
| ▸ | RARG | P13631 | 8/20 | 0.46 |
| ▸ | RARA | P10276 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.40 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8606006 | 0.92 | RARB (0.46) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8866611 | 0.84 | RARB (0.63) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL8866305 | 0.81 | RARB (0.71) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8631973 | 0.80 | RARB (0.55) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL9484975 | 0.77 | RARB (0.67) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8631951 | 0.76 | RARB (0.49) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8631781 | 0.75 | RARB (0.63) | RARBRARGRARACYP3A4CYP26A1 | |
| SCHEMBL9331449 | 0.74 | RARB (0.55) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL8604236 | 0.74 | RARB (0.58) | RARBRARGRARACYP3A4KMT2A | |
| SCHEMBL7636118 | 0.74 | RARB (0.49) | 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 5 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 | claimed |
| WO-1996036609-A1 | QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-11-21 | — | — | WO | claimed |
| 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 |