Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | CFD | P00746 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAPDH | P04406 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9607784 | 0.92 | ESR1 (0.39) | CTSAERN1KDM4EAKR1C3AKR1C2 | |
| SCHEMBL22600458 | 0.90 | ERN1 (0.36) | ALOX5CTSAERN1AKR1C3AKR1C2 | |
| SCHEMBL21417665 | 0.89 | ERN1 (0.45) | CTSAERN1AKR1C3AKR1C2APP | |
| SCHEMBL22600457 | 0.88 | ELANE (0.35) | ALOX5CTSAERN1AKR1C3AKR1C2 | |
| SCHEMBL18468353 | 0.88 | ERN1 (0.47) | BACE1CTSAERN1KDM4EAKR1C3 | |
| SCHEMBL20664381 | 0.87 | CFD (0.44) | BACE1ALOX5ADORA3CFDERN1 | |
| SCHEMBL18411592 | 0.87 | APP (0.39) | CTSAERN1AKR1C3AKR1C2APP | |
| SCHEMBL26144138 | 0.86 | FFAR1 (0.39) | CTSAKDM4EAKR1C3AKR1C2THRB | |
| SCHEMBL20343035 | 0.86 | THRB (0.39) | CTSAERN1KDM4EAKR1C3AKR1C2 | |
| SCHEMBL21507746 | 0.86 | HSD17B10 (0.44) | BACE1ADORA3KDM4EGAPDHTHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2557140-A2 | Liquid-crystalline medium | Merck Patent GmbH (DE) | 2013-02-13 | — | — | EP | disclosed |