Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL16889538 | 0.96 | CYP2A6 (0.38) | CYP2A6TRPV1CNR2DHODHGAA | |
| SCHEMBL16890090 | 0.82 | RAB9A (0.38) | CYP2A6GAAL3MBTL1 | |
| SCHEMBL16889395 | 0.80 | DYRK1A (0.41) | — | |
| SCHEMBL16889607 | 0.80 | PTGS1 (0.36) | CYP2A6TRPV1CNR2DHODHPDK1 | |
| SCHEMBL16889687 | 0.80 | CA12 (0.35) | GAAL3MBTL1PTGS2 | |
| SCHEMBL22054892 | 0.79 | MEN1 (0.38) | DHODHGAAL3MBTL1 | |
| SCHEMBL23188787 | 0.78 | SRC (0.35) | DHODHGAAL3MBTL1 | |
| SCHEMBL16889953 | 0.78 | CYP2A6 (0.35) | CYP2A6TRPV1CNR2ABL1GRIA2 | |
| SCHEMBL16890505 | 0.78 | CA12 (0.34) | GAAL3MBTL1 | |
| SCHEMBL16889398 | 0.77 | CYP11B1 (0.47) | CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3345911-A1 | POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL | Kwansei Gakuin Educational Foundation (JP) | 2018-07-11 | — | — | EP | disclosed |
| WO-2015102118-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2015-07-09 | — | — | WO | disclosed |