Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.53 |
| ▸ | HCAR3 | P49019 | 8/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28126130 | 0.83 | LMNA (0.61) | PDK1HCAR3MAPTALDH1A1TSHR | |
| SCHEMBL31397875 | 0.81 | PDK1 (0.47) | PDK1HCAR3MAPTGAAALDH1A1 | |
| SCHEMBL31397894 | 0.80 | PDK1 (0.51) | PDK1HCAR3MAPTGAAALDH1A1 | |
| SCHEMBL7268272 | 0.80 | PDK1 (0.46) | PDK1HCAR3MAPTGAAALDH1A1 | |
| SCHEMBL1185712 | 0.78 | MAPT (0.49) | PDK1HCAR3MAPTGAAALDH1A1 | |
| SCHEMBL99875 | 0.77 | CASP6 (0.70) | HCAR3TSHRCASP6LMNA | |
| SCHEMBL6742322 | 0.76 | GSK3B (0.57) | MAPTGAAALDH1A1CYP2D6TSHR | |
| SCHEMBL904579 | 0.76 | TDP1 (0.55) | MAPTGAAALDH1A1TSHR | |
| SCHEMBL9188742 | 0.76 | TTR (0.51) | PDK1MAPTALDH1A1TSHRLMNA | |
| SCHEMBL10368126 | 0.76 | AKR1C3 (0.49) | HCAR3ALDH1A1CYP2D6TSHR |
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-102459231-A | Quaternary ammonium salt compound | TEIJIN PHARMA LTD | 2012-05-16 | — | — | CN | disclosed |