Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 6/20 | 0.51 |
| ▸ | CHUK | O15111 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | CFD | P00746 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.37 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.37 |
| ▸ | ITGAL | P20701 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL9876047 | 0.88 | NPC1 (0.45) | IKBKBCHUKNPC1AXLCDK8 | |
| SCHEMBL7088348 | 0.85 | NPC1 (0.49) | IKBKBCHUKNPC1AXLCDK8 | |
| SCHEMBL594405 | 0.83 | AHR (0.50) | IKBKBCHUKNPC1BRD4AHR | |
| SCHEMBL5661955 | 0.81 | GSTP1 (0.48) | IKBKBCHUKNPC1AHRKEAP1 | |
| SCHEMBL28281966 | 0.77 | IKBKB (0.46) | IKBKBCHUKNPC1AXLCDK8 | |
| SCHEMBL17573827 | 0.77 | IKBKB (0.50) | IKBKBCHUKNPC1AXLCDK8 | |
| SCHEMBL9825748 | 0.76 | PARP10 (0.38) | IKBKBCHUKNPC1XDHSLC22A12 | |
| SCHEMBL20552404 | 0.76 | REN (0.45) | AHRMAPTKEAP1 | |
| SCHEMBL5662296 | 0.76 | AHR (0.52) | IKBKBCHUKAHR | |
| SCHEMBL17573792 | 0.76 | IKBKB (0.52) | IKBKBCHUKNPC1AXLCDK8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |
| EP-0187015-A2 | Squarilium compound and liquid crystal composition containing the same | MITSUBISHI KASEI CORPORATION (JP) | 1986-07-09 | — | — | EP | disclosed |