Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28693243 | 0.85 | CYP2A6 (0.53) | CYP2A6MTNR1ACA1CA2POLB | |
| SCHEMBL4592033 | 0.80 | KEAP1 (0.58) | CYP2A6MTNR1ACA2SMN1; SMN2MAPT | |
| SCHEMBL8905373 | 0.80 | CYP2A6 (0.58) | CYP2A6MTNR1AJUNMAPK8MAPK9 | |
| SCHEMBL30138881 | 0.80 | CYP2A6 (0.58) | CYP2A6MTNR1AJUNMAPK8MAPK9 | |
| SCHEMBL8869956 | 0.78 | CYP2A6 (0.56) | CYP2A6MTNR1AJUNMAPK8MAPK9 | |
| SCHEMBL27709633 | 0.78 | CYP2A6 (0.45) | CYP2A6MTNR1AJUNMAPK8MAPK9 | |
| SCHEMBL48674 | 0.78 | POLB (0.64) | CYP2A6MTNR1AJUNMAPK8MAPK9 | |
| SCHEMBL3070140 | 0.76 | CYP2A6 (0.61) | CYP2A6MTNR1AJUNMAPK8MAPK9 | |
| SCHEMBL1393298 | 0.74 | CYP2A6 (0.59) | CYP2A6MTNR1AJUNMAPK8MAPK9 | |
| SCHEMBL8786755 | 0.74 | CYP4F2 (0.60) | CYP2A6MTNR1APOLBLMNAIDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108264509-B | Substituted benzothieno [2,3-c ] tetrahydropyridine derivatives, preparation method and application thereof | 复旦大学 | 2021-05-04 | — | — | CN | disclosed |
| EP-1904473-A1 | BENZOHETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES | Bayer CropScience S.A. (FR) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006739-A1 | BENZOHETEROCYCLYLETHYLCARBOXAMIDE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2007-01-18 | — | — | WO | disclosed |