Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8781825 | 1.00 | GABRA1 (0.48) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL29350027 | 0.92 | GABRA1 (0.42) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL30381967 | 0.88 | GABRA1 (0.57) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL4657600 | 0.88 | GABRA1 (0.57) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL7833173 | 0.87 | CYP1A2 (0.62) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL7833168 | 0.87 | GABRA1 (0.39) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL20799525 | 0.87 | GABRA1 (0.44) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL2487241 | 0.87 | GABRA1 (0.39) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL2487242 | 0.85 | IDO1 (0.52) | GABRA1GABRB2GABRG2GABRB3CYP1A2 | |
| SCHEMBL2488214 | 0.85 | GABRA1 (0.38) | GABRA1GABRB2GABRG2GABRB3CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118050418-A | Ultrasonic atomization-hydrogen flame mass spectrum detection method for diisopropylnaphthalene compounds | 湖南中烟工业有限责任公司 | 2024-05-17 | — | — | CN | claimed |
| CN-119284871-A | Preparation method of spherical mesoporous carbon material, spherical mesoporous carbon material and method for detecting components in cigarette paper | 吉林烟草工业有限责任公司 | 2025-01-10 | — | — | CN | disclosed |
| CN-118050418-A | Ultrasonic atomization-hydrogen flame mass spectrum detection method for diisopropylnaphthalene compounds | 湖南中烟工业有限责任公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-117946630-A | Heat conducting oil mixture and preparation method thereof | 中国石油化工股份有限公司 | 2024-04-30 | — | — | CN | disclosed |