Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.72 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.67 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.67 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.67 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.64 |
| ▸ | MEN1 | O00255 | 4/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | METAP2 | P50579 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1017795 | 0.89 | CYP3A4 (0.89) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL882734 | 0.85 | KMT2A (0.80) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL28669297 | 0.81 | CYP3A4 (0.74) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL28052587 | 0.81 | CYP3A4 (0.74) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL31252862 | 0.81 | CYP3A4 (0.74) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL1017796 | 0.80 | CHRNB2 (1.00) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL8052698 | 0.79 | KMT2A (0.69) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL437231 | 0.79 | ALDH1A1 (0.87) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL29598779 | 0.79 | CHRNB2 (0.96) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 | |
| SCHEMBL25148550 | 0.78 | CYP3A4 (0.70) | CYP3A4CYP2C9ALOX12CHRNB2CHRNB4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9337430-B2 | Organic electroluminescent device | MERCK PATENT GMBH (DE) | 2016-05-10 | — | — | US | disclosed |
| US-9337430-B2 | Organic electroluminescent device | MERCK PATENT GMBH (DE) | 2016-05-10 | — | — | US | disclosed |
| EP-2773721-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | EP | disclosed |
| US-20140249308-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2014-09-04 | — | — | US | disclosed |
| US-20140249308-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2014-09-04 | — | — | US | disclosed |
| WO-2013064206-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2013-05-10 | — | — | WO | disclosed |