Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL14979563 | 0.80 | CCR1 (0.52) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL10569708 | 0.77 | GABRA1 (0.46) | CCR1CCR5CCR8GABRA1GABRB2 | |
| SCHEMBL17573723 | 0.76 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6TP53 | |
| SCHEMBL3801863 | 0.74 | GABRA1 (0.55) | CCR1CCR5CCR8GABRA1GABRB2 | |
| SCHEMBL2362466 | 0.73 | GABRA1 (0.61) | GABRA1GABRB2MAPTCYP3A4ALDH1A1 | |
| SCHEMBL29900352 | 0.73 | GABRA1 (0.61) | GABRA1GABRB2MAPTCYP3A4ALDH1A1 | |
| SCHEMBL8227859 | 0.72 | CCR1 (0.60) | CCR1CCR5CCR8HDAC6MAPT | |
| SCHEMBL19570215 | 0.71 | CCR1 (0.44) | CCR1CCR5CCR8HDAC6CYP3A4 | |
| SCHEMBL11957244 | 0.71 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6TP53 | |
| SCHEMBL5961795 | 0.71 | GABRA1 (0.50) | GABRA1GABRB2ALDH1A1KDM4EGAA |
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-3551623-B1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) | 2021-09-22 | — | — | EP | disclosed |