Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22111431 | 1.00 | ESR2 (0.43) | ESR2TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL18722306 | 0.90 | ESR2 (0.45) | ESR2TDP1ALDH1A1HSD17B1ESR1 | |
| SCHEMBL13463287 | 0.89 | ESR2 (0.55) | ESR2HSD17B1ESR1ACHEMCL1 | |
| SCHEMBL21676950 | 0.89 | ACHE (0.52) | ESR2TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL18308763 | 0.89 | ESR2 (0.37) | ESR2TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL18308786 | 0.89 | ESR2 (0.37) | ESR2TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL18553009 | 0.89 | PTGS2 (0.40) | ESR2TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL14173109 | 0.89 | ESR2 (0.55) | ESR2HSD17B1ESR1ACHEMCL1 | |
| SCHEMBL24940611 | 0.88 | GAA (0.42) | ESR2TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL284409 | 0.87 | ESR2 (0.47) | ESR2TDP1ALDH1A1HSD17B1ESR1 |
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-9822307-B2 | Liquid crystalline medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2017-11-21 | — | — | US | disclosed |