Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13557567 | 1.00 | ITGB2 (0.36) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL13557625 | 0.95 | FAAH (0.37) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL13557643 | 0.94 | FAAH (0.37) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL13827247 | 0.94 | FAAH (0.37) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL13557762 | 0.92 | ITGB2 (0.40) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL13231551 | 0.92 | ITGB2 (0.40) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL13557631 | 0.91 | ALDH1A1 (0.44) | HTTALDH1A1FAAHHSP90AA1PKM | |
| SCHEMBL13557641 | 0.91 | PDE6D (0.38) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL21474019 | 0.91 | ITGB2 (0.37) | ITGB2ICAM1ITGALHTTALDH1A1 | |
| SCHEMBL13827535 | 0.91 | FAAH (0.39) | ITGB2ICAM1ITGALFAAHMGLL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2705552-B1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2015-03-04 | — | — | EP | disclosed |
| US-20140061548-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | Merck Patent CmbH (DE) | 2014-03-06 | — | — | US | disclosed |
| US-20140061548-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | Merck Patent CmbH (DE) | 2014-03-06 | — | — | US | disclosed |
| WO-2012150001-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-11-08 | — | — | WO | disclosed |