Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL8790 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL31621216 | 0.97 | CYP1A2 (0.52) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL8592883 | 0.97 | CYP1A2 (0.52) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL7519716 | 0.95 | CYP1A2 (0.50) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| Ethylene SCHEMBL8590174 | 0.95 | CYP1A2 (0.50) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| Ethylenediamine SCHEMBL2494997 | 0.89 | KIF11 (0.45) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| SCHEMBL29104713 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| SCHEMBL29663620 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 | |
| SCHEMBL10348929 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2D6MAPTKMT2A | |
| SCHEMBL6054323 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C9KEAP1NFE2L2CYP2D6 |
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-105473545-A | Dihydroxyphenyl neurotransmitter compounds, compositions, and methods | AUSPEX PHARMACEUTICALS INC | 2016-04-06 | — | — | CN | disclosed |