Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 7/20 | 0.34 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL22600457 | 0.98 | ELANE (0.35) | ERN1CTSAAKR1C3AKR1C2THRB | |
| SCHEMBL26144157 | 0.91 | ELANE (0.40) | ERN1CTSAAKR1C3AKR1C2APP | |
| SCHEMBL1098577 | 0.91 | ELANE (0.40) | ERN1CTSAAKR1C3AKR1C2APP | |
| SCHEMBL14699673 | 0.90 | BACE1 (0.42) | ERN1CTSAAKR1C3AKR1C2THRB | |
| SCHEMBL9607784 | 0.90 | ESR1 (0.39) | ERN1CTSAAKR1C3AKR1C2THRB | |
| SCHEMBL18194819 | 0.89 | ELANE (0.42) | ERN1AKR1C3AKR1C2THRBAPP | |
| SCHEMBL18194796 | 0.89 | ELANE (0.42) | ERN1AKR1C3AKR1C2THRBAPP | |
| SCHEMBL14984537 | 0.88 | CTSA (0.32) | ERN1CTSAAPPCYP2C19ELANE | |
| SCHEMBL14984708 | 0.88 | CTSA (0.32) | ERN1CTSAAPPCYP2C19ELANE | |
| SCHEMBL14984716 | 0.88 | CTSA (0.32) | ERN1CTSAAKR1C3AKR1C2THRB |
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-20200339884-A1 | LIQUID CRYSTAL COMPOSITION AND USE THEREOF | JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) | 2020-10-29 | — | — | US | disclosed |