Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Phenylethyl Alcohol SCHEMBL6322486 | 0.87 | TDP1 (0.76) | FFAR1TDP1KEAP1HDAC1ALDH1A1 | |
| Formic Acid SCHEMBL27403153 | 0.85 | ALDH1A1 (0.48) | FFAR1TDP1KEAP1HDAC1ALDH1A1 | |
| Formic Acid SCHEMBL27479588 | 0.85 | TDP1 (0.73) | FFAR1TDP1KEAP1HDAC1ALDH1A1 | |
| Phenethylamine SCHEMBL27697034 | 0.85 | HTR2A (0.73) | TDP1ALDH1A1MAOAMAOBSMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL10839871 | 0.85 | TDP1 (0.71) | FFAR1TDP1KEAP1HDAC1ALDH1A1 | |
| Hydrogen Peroxide SCHEMBL10839772 | 0.85 | TDP1 (0.71) | FFAR1TDP1KEAP1HDAC1ALDH1A1 | |
| Hydrocinnamyl Alcohol SCHEMBL27655547 | 0.84 | TDP1 (0.56) | TDP1KEAP1HDAC1MAOASMN1; SMN2 | |
| Formic Acid SCHEMBL18016467 | 0.84 | ALDH1A1 (0.47) | FFAR1TDP1KEAP1HDAC1ALDH1A1 | |
| Formamide SCHEMBL6861461 | 0.83 | MAOA (0.56) | FFAR1TDP1KEAP1ALDH1A1MAOA | |
| Diphenylmethane SCHEMBL28093285 | 0.83 | CALM1 (0.67) | TDP1ALDH1A1MAOBHDAC8HDAC6 |
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-108191620-A | A kind of method that amitriptyline intermediate is prepared using solid acid catalyst | 河南中医药大学 | 2018-06-22 | — | — | CN | claimed |