Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.51 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | FBP1 | P09467 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL12669737 | 0.84 | CYP1A2 (0.45) | NFE2L2CYP1A2 | |
| SCHEMBL16130510 | 0.81 | NFE2L2 (0.50) | NFE2L2CYP1A2MAOBCYP1A1CYP1B1 | |
| SCHEMBL18002739 | 0.78 | NFE2L2 (0.56) | NFE2L2NQO2AHRPTGS1CYP1A2 | |
| SCHEMBL11362105 | 0.75 | HTR3E (0.58) | L3MBTL1 | |
| SCHEMBL13790316 | 0.75 | NFE2L2 (0.82) | NFE2L2NQO2AHRPTGS1FBP1 | |
| SCHEMBL22398153 | 0.75 | NFE2L2 (0.70) | NFE2L2NQO2AHRPTGS1CYP1A2 | |
| SCHEMBL22398154 | 0.75 | NFE2L2 (0.70) | NFE2L2NQO2AHRPTGS1CYP1A2 | |
| SCHEMBL30632949 | 0.75 | NFE2L2 (0.70) | NFE2L2NQO2AHRPTGS1CYP1A2 | |
| SCHEMBL22468790 | 0.74 | MAOB (0.59) | NFE2L2NQO2AHRPTGS1CYP1A2 | |
| SCHEMBL521926 | 0.74 | MAOB (0.59) | NFE2L2NQO2AHRPTGS1CYP1A2 |
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-108570000-A | A kind of drug for treating depression | 郝惠敏 | 2018-09-25 | — | — | CN | disclosed |
| CN-108558754-A | A kind of drug for treating depression | 郝惠敏 | 2018-09-21 | — | — | CN | disclosed |
| CN-108558798-A | A kind of drug for treating depression | 郝惠敏 | 2018-09-21 | — | — | CN | disclosed |