Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL103324 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL2402230 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4860318 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TSHRSMN1; SMN2MAPTKMT2A | |
| SCHEMBL10071500 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1592709 | 0.81 | ALDH1A1 (0.42) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10071505 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10071506 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL10071507 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20045126 | 0.78 | CHRNB2 (0.43) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3827820 | 0.78 | ALDH1A1 (0.42) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-8992796-B2 | Polymerizable liquid crystal composition | DIC CORPORATION (JP) | 2015-03-31 | — | — | US | disclosed |
| US-20120056129-A1 | POLYMERIZABLE LIQUID CRYSTAL COMPOSITION | DIC CORPORATION (JP) | 2012-03-08 | — | — | US | disclosed |