Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 5/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28526090 | 0.90 | HDAC1 (0.37) | FAAHLMNACHRM1AKR1A1CHRM3 | |
| SCHEMBL406807 | 0.88 | ALDH1A1 (0.40) | NAAAFAAHCNR1CNR2LMNA | |
| SCHEMBL28627424 | 0.87 | ALDH1A1 (0.40) | FAAHCNR1CNR2LMNAALDH1A1 | |
| SCHEMBL28516887 | 0.84 | MEN1 (0.33) | NAAALMNAALDH1A1MEN1CYP2C19 | |
| SCHEMBL4651834 | 0.80 | FAAH (0.46) | FAAHCNR1CNR2LMNAZDHHC7 | |
| SCHEMBL17453512 | 0.80 | CA1 (0.34) | FAAHLMNACHRM1AKR1A1CHRM3 | |
| SCHEMBL1342654 | 0.79 | FAAH (0.33) | FAAHCHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL1342652 | 0.79 | FAAH (0.33) | FAAHCHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL1344682 | 0.79 | FAAH (0.33) | FAAHCHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL12132618 | 0.78 | CHRNB2 (0.42) | LMNACHRM1CHRM3CA1NFKB1 |
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-112334568-A | Isobutyrate compounds having propionyloxy group at alpha position, fragrance compositions and use as fragrance | 三菱瓦斯化学株式会社 | 2021-02-05 | — | — | CN | disclosed |