Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19660697 | 0.91 | CYP2A6 (0.56) | CYP2A6CYP1A2MAOBALDH1A1TDP1 | |
| SCHEMBL23555855 | 0.89 | CYP1A2 (0.72) | CYP2A6CYP1A2ALDH1A1TDP1KDM4E | |
| SCHEMBL19287326 | 0.86 | CYP1A2 (0.68) | CYP2A6CYP1A2MAOBALDH1A1TDP1 | |
| SCHEMBL9187014 | 0.86 | CYP1A2 (0.68) | CYP2A6CYP1A2MAOBALDH1A1TDP1 | |
| SCHEMBL13098708 | 0.86 | ALDH1A1 (0.52) | CYP2A6CYP1A2MAOBALDH1A1CYP11B1 | |
| SCHEMBL1247086 | 0.81 | CYP2A6 (0.68) | CYP2A6CYP1A2MAOBALDH1A1TDP1 | |
| SCHEMBL4659246 | 0.81 | CYP11B1 (0.57) | CYP2A6ALDH1A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL6313891 | 0.80 | CYP2A6 (0.62) | CYP2A6CYP1A2MAOBALDH1A1TDP1 | |
| SCHEMBL29827112 | 0.80 | CYP2A6 (0.62) | CYP2A6CYP1A2MAOBALDH1A1TDP1 | |
| SCHEMBL28941798 | 0.79 | CYP2A6 (0.70) | CYP2A6CYP1A2MAOBALDH1A1TDP1 |
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-2311826-B1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME | LG CHEMICAL LTD (KR) | 2017-05-24 | — | — | EP | disclosed |