Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7748984 | 0.77 | SLC6A2 (0.32) | SLC6A4 | |
| SCHEMBL9296320 | 0.74 | KDM4E (0.47) | KDM4ESLC6A4MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL25267340 | 0.74 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1858922 | 0.73 | GABRA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11607442 | 0.72 | GABRA1 (0.30) | — | |
| SCHEMBL3161492 | 0.70 | KDM4E (0.44) | KDM4ESLC6A4MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL14094031 | 0.70 | KDM4E (0.44) | KDM4ESLC6A4MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL5402653 | 0.70 | TDP1 (0.46) | SLC6A4MAPK1ALDH1A1KMT2ATAAR1 | |
| Hydrochloric Acid SCHEMBL9796807 | 0.70 | KCNN4 (0.36) | KDM4EMAPK1ALDH1A1MEN1KMT2A | |
| SCHEMBL542873 | 0.70 | KDM4E (0.50) | KDM4ESLC6A4MTNR1AMTNR1BALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0579729-A1 | QUATERNARY AMMONIUM ANTIBACTERIAL DENTIFRICES WITH SELECTED CALCIUM ABRASIVES | SMITHKLINE BEECHAM CORPORATION (US) | 1994-01-26 | — | — | EP | disclosed |