Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17166196 | 0.98 | CYP2A6 (0.56) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL13177700 | 0.80 | CYP2A6 (0.84) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL260384 | 0.80 | CYP2A6 (0.84) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL13159910 | 0.78 | CYP2A6 (0.46) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL13707875 | 0.78 | CYP2A6 (0.73) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| Hydrogen Sulfide SCHEMBL28999805 | 0.78 | CYP2A6 (0.80) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| SCHEMBL18892918 | 0.77 | CYP2A6 (0.38) | CYP2A6ALDH1A1KDM4EMEN1NPC1 | |
| P-Xylene SCHEMBL10939332 | 0.77 | CYP2A6 (1.00) | CYP2A6ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL29171 | 0.77 | — | — | |
| SCHEMBL8469408 | 0.77 | CYP2A6 (1.00) | CYP2A6ALDH1A1KDM4ENPC1RAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9728724-B2 | Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer | MERCK PATENT GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| US-9728724-B2 | Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer | MERCK PATENT GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| EP-2401316-B1 | POLYMER HAVING ALDEHYDE GROUPS, CONVERTING AND CROSS-LINKING OF SAID POLYMER, CROSS-LINKED POLYMER, AND ELECTROLUMINESCENT DEVICE COMPRISING SAID POLYMER | MERCK PATENT GMBH (DE) | 2017-05-24 | — | — | EP | disclosed |
| US-20150325793-A1 | POLYMER CONTAINING ALDEHYDE GROUPS, REACTION AND CROSSLINKING OF THIS POLYMER, CROSSLINKED POLYMER, AND ELECTROLUMINESCENT DEVICE COMPRISING THIS POLYMER | MERCK PATENT GMBH (DE) | 2015-11-12 | — | — | US | disclosed |
| US-20150325793-A1 | POLYMER CONTAINING ALDEHYDE GROUPS, REACTION AND CROSSLINKING OF THIS POLYMER, CROSSLINKED POLYMER, AND ELECTROLUMINESCENT DEVICE COMPRISING THIS POLYMER | MERCK PATENT GMBH (DE) | 2015-11-12 | — | — | US | disclosed |
| US-9156939-B2 | Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer | MERCK PATENT GMBH (DE) | 2015-10-13 | — | — | US | disclosed |
| US-9156939-B2 | Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer | MERCK PATENT GMBH (DE) | 2015-10-13 | — | — | US | disclosed |