Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.64 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL7429693 | 0.86 | KEAP1 (0.68) | CYP2A6CA2HDAC10HDAC11HDAC8 | |
| SCHEMBL9751552 | 0.81 | CA2 (0.56) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL31164712 | 0.81 | MTNR1A (0.57) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL28564709 | 0.81 | MTNR1A (0.57) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL6202916 | 0.81 | KEAP1 (0.75) | CYP2A6CA2KEAP1NFE2L2MAPT | |
| SCHEMBL15897090 | 0.81 | CYP2A6 (0.55) | CYP2A6CA2HDAC10HDAC11HDAC8 | |
| SCHEMBL30469746 | 0.81 | CYP2A6 (0.55) | CYP2A6CA2HDAC10HDAC11HDAC8 | |
| SCHEMBL8605628 | 0.79 | MTNR1A (0.59) | CYP2A6CA2KEAP1NFE2L2LMNA | |
| SCHEMBL28566065 | 0.79 | CYP2A6 (0.52) | CYP2A6CA2HDAC10HDAC11HDAC8 | |
| SCHEMBL31425881 | 0.79 | CYP2A6 (0.52) | CYP2A6CA2HDAC10HDAC11HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108264509-B | Substituted benzothieno [2,3-c ] tetrahydropyridine derivatives, preparation method and application thereof | 复旦大学 | 2021-05-04 | — | — | CN | disclosed |