Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 2/20 | 0.32 |
| ▸ | CCR5 | P51681 | 2/20 | 0.32 |
| ▸ | CCR8 | P51685 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | GPR39 | O43194 | 1/20 | 0.31 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | BCR | P11274 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.30 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ALPL | P05186 | 1/20 | 0.30 |
| ▸ | ALPI | P09923 | 1/20 | 0.30 |
| ▸ | ALPG | P10696 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21743331 | 0.89 | HSP90AA1 (0.35) | CCR1CCR5CCR8ADORA3HSP90AA1 | |
| SCHEMBL21861168 | 0.87 | MCL1 (0.40) | CCR1CCR5CCR8HSP90AA1SQOR | |
| SCHEMBL24762515 | 0.82 | CNR2 (0.32) | HSP90AA1KDM4ELMNAHTTSMN1; SMN2 | |
| SCHEMBL25887036 | 0.82 | HIF1A (0.34) | HSP90AA1KDM4ELMNAMAPK1HTT | |
| SCHEMBL17725300 | 0.78 | CCR1 (0.50) | TRPV1CCR1CCR5CCR8ADORA3 | |
| SCHEMBL23176879 | 0.78 | SIRT2 (0.36) | HSP90AA1ABL1KDM4ELMNATP53 | |
| SCHEMBL23764098 | 0.74 | — | — | |
| SCHEMBL21935789 | 0.73 | MAPK1 (0.30) | MAPK1 | |
| SCHEMBL20169567 | 0.72 | KAT6A (0.35) | CCR1CCR5CCR8HSP90AA1KDM4E | |
| SCHEMBL22066176 | 0.72 | METAP1 (0.32) | ADORA3HSP90AA1SLC2A1KDM4ELMNA |
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-3214084-A2 | CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2017-09-06 | — | — | EP | disclosed |