Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.94 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.94 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18268 | 0.97 | GABRA1 (1.00) | GABRA1GABRB2LMNATYRALDH1A1 | |
| SCHEMBL28151410 | 0.94 | GABRA1 (0.94) | GABRA1GABRB2LMNATYRALDH1A1 | |
| Hydrochloric Acid SCHEMBL27539042 | 0.94 | GABRA1 (0.94) | GABRA1GABRB2LMNATYRALDH1A1 | |
| SCHEMBL14973413 | 0.94 | GABRA1 (0.94) | GABRA1GABRB2LMNATYRALDH1A1 | |
| Hydrochloric Acid SCHEMBL7075850 | 0.94 | GABRA1 (0.94) | GABRA1GABRB2LMNATYRALDH1A1 | |
| SCHEMBL29444798 | 0.94 | GABRA1 (0.94) | GABRA1GABRB2LMNATYRALDH1A1 | |
| SCHEMBL30897309 | 0.94 | GABRA1 (0.94) | GABRA1GABRB2LMNATYRALDH1A1 | |
| Hydrochloric Acid SCHEMBL6040025 | 0.92 | GABRA1 (0.89) | GABRA1GABRB2LMNATYRALDH1A1 | |
| SCHEMBL123887 | 0.91 | GABRA1 (0.88) | GABRA1GABRB2LMNATYRALDH1A1 | |
| SCHEMBL18353568 | 0.85 | GABRA1 (0.76) | GABRA1GABRB2LMNATYRALDH1A1 |
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-111848668-B | Pyridinylamino IVB group binuclear metal complex and preparation and application thereof | 万华化学集团股份有限公司 | 2023-03-03 | — | — | CN | disclosed |
| CN-111848668-A | Pyridinylamino IVB group binuclear metal complex and preparation and application thereof | 万华化学集团股份有限公司 | 2020-10-30 | — | — | CN | disclosed |