Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | 0.79 | CYP2A6 (0.56) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL17166195 | 0.77 | CYP2A6 (0.59) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL17080898 | 0.65 | CYP2A6 (0.39) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL13177700 | 0.62 | CYP2A6 (0.84) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL260384 | 0.62 | CYP2A6 (0.84) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL13159910 | 0.62 | CYP2A6 (0.46) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL15163808 | 0.62 | CYP2A6 (0.54) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL13707875 | 0.61 | CYP2A6 (0.73) | CYP2A6BRD4KDM4EALDH1A1HPGD | |
| SCHEMBL27339777 | 0.61 | CYP2A6 (0.65) | CYP2A6KDM4EALDH1A1NPC1RAB9A | |
| Hydrogen Sulfide SCHEMBL28999805 | 0.61 | CYP2A6 (0.80) | CYP2A6BRD4KDM4EALDH1A1HPGD |
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-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 |