Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29405311 | 0.91 | CA2 (0.43) | CA2ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL4599393 | 0.91 | CA2 (0.43) | CA2ALDH1A1CYP1A2HSD17B10HPGD | |
| Naphthalene SCHEMBL1637639 | 0.89 | CA2 (0.41) | CA2ALDH1A1CYP1A2HSD17B10HPGD | |
| Tert-Butanol SCHEMBL28209873 | 0.86 | CA2 (0.43) | CA2ALDH1A1CYP1A2HSD17B10HPGD | |
| Formaldehyde SCHEMBL28438122 | 0.86 | ALDH1A1 (0.42) | CA2ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL7951292 | 0.85 | CA2 (0.41) | CA2ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL23178987 | 0.83 | CA2 (0.40) | CA2ALDH1A1CYP1A2GABRA1GABRB2 | |
| SCHEMBL19196145 | 0.83 | CA2 (0.50) | CA2ALDH1A1CYP1A2HSD17B10HPGD | |
| Hydroquinone SCHEMBL28095978 | 0.82 | CA2 (0.45) | CA2ALDH1A1CYP1A2HSD17B10GABRA1 | |
| SCHEMBL10987327 | 0.81 | ALDH1A1 (0.52) | CA2ALDH1A1CYP1A2HSD17B10HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111233701-B | Benzobucket alkene pentapterene ligand, transition metal catalyst, preparation method and application in ethylene polymerization | 中国科学院长春应用化学研究所 | 2021-03-23 | — | — | CN | disclosed |
| CN-111233701-A | Novel benzo bucket alkene pentapterene ligand, transition metal catalyst, preparation method and application in ethylene polymerization | 中国科学院长春应用化学研究所 | 2020-06-05 | — | — | CN | disclosed |