Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28515601 | 0.90 | NAAA (0.34) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL17453512 | 0.89 | CA1 (0.34) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL28627424 | 0.88 | ALDH1A1 (0.40) | TDP1TSHRCYP3A4FAAHLMNA | |
| SCHEMBL1342654 | 0.88 | FAAH (0.33) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL1344682 | 0.88 | FAAH (0.33) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL1342652 | 0.88 | FAAH (0.33) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL12132618 | 0.87 | CHRNB2 (0.42) | CHRM1CHRM3NFKB1CHRNB2CHRNA4 | |
| SCHEMBL6336200 | 0.86 | CA2 (0.44) | TDP1TSHRCYP3A4FAAHLMNA | |
| SCHEMBL4651834 | 0.85 | FAAH (0.46) | FAAHLMNACA1ZDHHC7 | |
| SCHEMBL28546619 | 0.84 | FOLH1 (0.35) | HDAC1HDAC2CHRM1AKR1A1CHRM3 |
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-112368259-A | Isobutyrate compound having butyryloxy group or pivaloyloxy group at alpha-position, and fragrance composition | 三菱瓦斯化学株式会社 | 2021-02-12 | — | — | CN | disclosed |