Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18891725 | 0.91 | CYP2A6 (0.56) | CYP2A6CYP1A2CYP11B1CYP11B2MAOB | |
| SCHEMBL1247086 | 0.91 | CYP2A6 (0.68) | CYP2A6CYP1A2MAOBTDP1ALDH1A1 | |
| SCHEMBL4585180 | 0.86 | CYP2A6 (0.62) | CYP2A6CYP1A2MAOBTDP1ALDH1A1 | |
| SCHEMBL13152961 | 0.86 | CYP2A6 (0.62) | CYP2A6CYP1A2MAOBTDP1ALDH1A1 | |
| SCHEMBL16520506 | 0.86 | CYP2A6 (0.62) | CYP2A6CYP1A2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL4322069 | 0.84 | CYP2A6 (0.70) | CYP2A6CYP1A2MAOBTDP1ALDH1A1 | |
| SCHEMBL23555855 | 0.84 | CYP1A2 (0.72) | CYP2A6CYP1A2TDP1ALDH1A1KDM4E | |
| SCHEMBL19287326 | 0.81 | CYP1A2 (0.68) | CYP2A6CYP1A2MAOBTDP1ALDH1A1 | |
| SCHEMBL9187014 | 0.81 | CYP1A2 (0.68) | CYP2A6CYP1A2MAOBTDP1ALDH1A1 | |
| SCHEMBL4659246 | 0.81 | CYP11B1 (0.57) | CYP2A6CYP11B1CYP11B2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017204556-A1 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR | 덕산네오룩스 주식회사 | 2017-11-30 | — | — | WO | disclosed |