Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | CCR5 | P51681 | 1/20 | 0.52 |
| ▸ | CCR8 | P51685 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | PDE9A | O76083 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23837941 | 0.80 | CCR1 (0.46) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL15358381 | 0.80 | CYP3A4 (0.45) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL8227859 | 0.77 | CCR1 (0.60) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL19598238 | 0.77 | ALOX5AP (0.44) | PDE10AALOX5APFEN1ATRTRPA1 | |
| SCHEMBL11957244 | 0.76 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL4777973 | 0.76 | KDM4E (0.50) | CCR1CCR5CCR8CYP2A6 | |
| SCHEMBL9419246 | 0.75 | CCR1 (0.47) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL11982667 | 0.75 | RAB9A (0.52) | KMT2A | |
| SCHEMBL12320877 | 0.74 | CYP11B1 (0.56) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL24513223 | 0.74 | CCR1 (0.56) | CCR1CCR5CCR8HDAC6CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018105888-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2018-06-14 | — | — | WO | disclosed |
| WO-2017200210-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-11-23 | — | — | WO | disclosed |
| WO-2013073874-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2013-05-23 | — | — | WO | disclosed |