Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7069170 | 0.98 | HTR1D (0.49) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL11135471 | 0.80 | CYP1A2 (0.71) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL4102420 | 0.80 | HTR1D (0.55) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL9447197 | 0.79 | HTR1D (0.57) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL7338988 | 0.79 | HTR1D (0.53) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| Hydrochloric Acid SCHEMBL7346644 | 0.78 | HTR1D (0.52) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL4762221 | 0.76 | HTR1D (0.51) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL9447081 | 0.76 | HTR1D (0.54) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL7338142 | 0.76 | HTR1D (0.48) | HTR1DHTR1BCYP2D6CYP1A2GAA | |
| SCHEMBL1400997 | 0.74 | CYP1A2 (0.31) | CYP2D6CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113045499-B | Asymmetric long-chain alkyl benzyl imidazoline polyethylene long-chain alkylamide cationic compound, and preparation and application thereof | 中国科学院理化技术研究所 | 2022-11-18 | — | — | CN | claimed |
| CN-113045499-A | Asymmetric long-chain alkyl benzyl imidazoline polyethylene long-chain alkylamide cationic compound, and preparation and application thereof | 中国科学院理化技术研究所 | 2021-06-29 | — | — | CN | claimed |
| CN-113045499-B | Asymmetric long-chain alkyl benzyl imidazoline polyethylene long-chain alkylamide cationic compound, and preparation and application thereof | 中国科学院理化技术研究所 | 2022-11-18 | — | — | CN | disclosed |
| CN-113045499-A | Asymmetric long-chain alkyl benzyl imidazoline polyethylene long-chain alkylamide cationic compound, and preparation and application thereof | 中国科学院理化技术研究所 | 2021-06-29 | — | — | CN | disclosed |
| CN-109678800-A | Benzyl imidazoline cationic compound, corrosion inhibiter and preparation method and application | 中国科学院理化技术研究所 | 2019-04-26 | — | — | CN | disclosed |
| EP-0457656-A1 | Cleaning and disinfecting composition | EPARCO (FR) | 1991-11-21 | — | — | EP | disclosed |