Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL189788 | 0.84 | GABRA1 (0.46) | GABRA1GABRB2HMGCREPHX2NR1H4 | |
| SCHEMBL14005550 | 0.84 | GABRA1 (0.40) | GABRA1GABRB2HMGCREPHX2NR1H4 | |
| SCHEMBL8066514 | 0.79 | CES2 (0.34) | POLB | |
| SCHEMBL3264978 | 0.77 | GABRA1 (0.39) | GABRA1GABRB2HMGCREPHX2NR1H4 | |
| SCHEMBL8008577 | 0.77 | RXRA (0.40) | GABRA1GABRB2HMGCREPHX2NR1H4 | |
| SCHEMBL3201259 | 0.77 | GABRA1 (0.39) | GABRA1GABRB2HMGCREPHX2NR1H4 | |
| SCHEMBL2032568 | 0.77 | GABRA1 (0.39) | GABRA1GABRB2HMGCREPHX2NR1H4 | |
| SCHEMBL17827239 | 0.77 | GABRA1 (0.52) | GABRA1GABRB2HMGCRPOLB | |
| SCHEMBL13861822 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL12187809 | 0.77 | GABRA1 (0.46) | GABRA1GABRB2HMGCRPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011140936-A1 | 5,5-DISUBSTITUTED-2-IMINO-PYRROLIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF | 上海恒瑞医药有限公司 (CN) | 2011-11-17 | — | — | WO | disclosed |