Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CIT | O14578 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29225750 | 0.82 | ALDH1A1 (0.55) | ADRB2CITPDE2AALDH1A1TP53 | |
| SCHEMBL29225752 | 0.82 | ALDH1A1 (0.55) | ADRB2CITPDE2AALDH1A1TP53 | |
| SCHEMBL9478914 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TP53CYP3A4TDP1ALOX5AP | |
| SCHEMBL18866856 | 0.81 | SLC6A4 (0.43) | ALDH1A1TP53CYP3A4TDP1ALOX5AP | |
| SCHEMBL342044 | 0.79 | ADRB2 (0.59) | ADRB2PDE2AALDH1A1TP53CYP3A4 | |
| SCHEMBL3555995 | 0.79 | ADRB2 (0.59) | ADRB2PDE2AALDH1A1TP53CYP3A4 | |
| SCHEMBL4208264 | 0.79 | ADRB2 (0.59) | ADRB2PDE2AALDH1A1TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL6801092 | 0.77 | ADRB2 (0.56) | ADRB2PDE2AALDH1A1TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL6795220 | 0.77 | ADRB2 (0.56) | ADRB2PDE2AALDH1A1TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL3175939 | 0.77 | ADRB2 (0.56) | ADRB2PDE2AALDH1A1TP53CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963636-B2 | Liquid crystal composition and liquid crystal display device using same | DIC CORPORATION (JP) | 2018-05-08 | — | — | US | disclosed |