Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 19/20 | 1.00 |
| ▸ | GABRG2 | P18507 | 19/20 | 1.00 |
| ▸ | GABRB3 | P28472 | 19/20 | 1.00 |
| ▸ | GABRA3 | P34903 | 19/20 | 1.00 |
| ▸ | GABRA2 | P47869 | 19/20 | 1.00 |
| ▸ | GABRA5 | P31644 | 18/20 | 1.00 |
| ▸ | GABRA6 | Q16445 | 15/20 | 1.00 |
| ▸ | GABRA4 | P48169 | 11/20 | 1.00 |
| ▸ | GABRP | O00591 | 6/20 | 1.00 |
| ▸ | GABRD | O14764 | 6/20 | 1.00 |
| ▸ | GABRB1 | P18505 | 6/20 | 1.00 |
| ▸ | GABRB2 | P47870 | 6/20 | 1.00 |
| ▸ | GABRE | P78334 | 6/20 | 1.00 |
| ▸ | GABRG1 | Q8N1C3 | 6/20 | 1.00 |
| ▸ | GABRG3 | Q99928 | 6/20 | 1.00 |
| ▸ | GABRQ | Q9UN88 | 6/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.74 |
| ▸ | PDE5A | O76074 | 2/20 | 0.74 |
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 | |
|---|---|---|---|---|
| SCHEMBL2352291 | 1.00 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| Beta-Ccm SCHEMBL1066725 | 0.85 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| Beta-Ccm SCHEMBL30480071 | 0.85 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| Beta-Ccm SCHEMBL28185000 | 0.84 | GABRA1 (0.97) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL17517484 | 0.84 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL29672619 | 0.82 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL30274389 | 0.82 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL601711 | 0.82 | GABRA1 (1.00) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL8845187 | 0.82 | GABRA1 (0.78) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL10857122 | 0.80 | GABRA1 (0.75) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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-114487184-B | Method for determining 2 beta-methyl ester-3 beta- (4-chlorophenyl) tropane and related substances thereof | 江苏省原子医学研究所 | 2023-09-22 | — | — | CN | disclosed |
| CN-114487184-A | Method for measuring 2 beta-carbomethoxy-3 beta- (4-chlorphenyl) tropane and related substances thereof | 江苏省原子医学研究所 | 2022-05-13 | — | — | CN | disclosed |