Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14205220 | 0.93 | LMNA (0.53) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL14205218 | 0.89 | LMNA (0.58) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL14205402 | 0.86 | LMNA (0.57) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL14205403 | 0.83 | LMNA (0.51) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL14205219 | 0.83 | LMNA (0.51) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL14205786 | 0.82 | LMNA (0.49) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL4353043 | 0.82 | LMNA (0.65) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL14178703 | 0.81 | HCRTR1 (0.51) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| Hydrochloric Acid SCHEMBL4349771 | 0.81 | LMNA (0.64) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 | |
| SCHEMBL4344459 | 0.81 | CYP2D6 (0.58) | LMNAKDM4EALDH1A1HSD17B10CYP2D6 |
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-2008064329-A1 | THERAPEUTIC TETRAHYDROISOQUINOLINE-BASED COMPOSITIONS FOR CANCER THERAPY | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2008-05-29 | — | — | WO | disclosed |