Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN5A | Q14524 | 4/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.44 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7196230 | 0.97 | SCN5A (0.57) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| Hydrochloric Acid SCHEMBL2864438 | 0.95 | SCN5A (0.55) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| SCHEMBL2868352 | 0.84 | SCN5A (0.50) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| SCHEMBL11413705 | 0.82 | GABRA1 (0.52) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| Hydrochloric Acid SCHEMBL2868350 | 0.82 | PTGS2 (0.49) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| SCHEMBL11660113 | 0.82 | KCNH2 (0.49) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| SCHEMBL11660568 | 0.82 | SCN5A (0.49) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| SCHEMBL28429126 | 0.79 | SCN5A (0.59) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| SCHEMBL23562240 | 0.79 | SMN1; SMN2 (0.46) | SCN5AKCNH2GABRA1GABRB2ALOX15 | |
| SCHEMBL949396 | 0.79 | CHRM2 (0.47) | SCN5AKCNH2CACNA1CKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102161682-A | Non-bridged N-substituted aryllamino mono-titanocene compound and application thereof | UNIV JILIN | 2011-08-24 | — | — | CN | disclosed |