Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MPL | P40238 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.31 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.30 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL476650 | 0.84 | MPL (0.44) | KIF11GABRA1GABRB2ACHECYP1A2 | |
| SCHEMBL9882817 | 0.82 | GABRA1 (0.43) | KIF11GABRA1GABRB2ACHECYP1A2 | |
| SCHEMBL8846936 | 0.80 | KIF11 (0.41) | KIF11GABRA1GABRB2ACHECYP1A2 | |
| SCHEMBL9626868 | 0.79 | GABRA1 (0.56) | KIF11GABRA1GABRB2ACHECYP1A2 | |
| SCHEMBL28574005 | 0.77 | P2RX7 (0.36) | CYP1A2CYP2A6HSD11B1TSHRMPL | |
| SCHEMBL25078710 | 0.77 | KIF11 (0.40) | KIF11GABRA1GABRB2ACHECYP1A2 | |
| SCHEMBL4002333 | 0.76 | HSD11B1 (0.39) | HSD11B1MPLP2RX7PDK2 | |
| SCHEMBL30018336 | 0.76 | KIF11 (0.45) | KIF11GABRA1GABRB2ACHECYP1A2 | |
| SCHEMBL23886233 | 0.76 | KIF11 (0.45) | KIF11GABRA1GABRB2ACHECYP1A2 | |
| SCHEMBL23344925 | 0.75 | KIF11 (0.39) | KIF11GABRA1GABRB2ACHECYP1A2 |
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-114616232-A | Azepadinopyrimidine derivatives and medical application thereof | 正大天晴药业集团南京顺欣制药有限公司 | 2022-06-10 | — | — | CN | disclosed |
| WO-1999011612-A2 | SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME | ISIS PHARMACEUTICALS, INC. (US) | 1999-03-11 | — | — | WO | disclosed |