Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372062 | 0.86 | SIGMAR1 (0.43) | SIGMAR1KCNH2CYP1A2CYP2D6TSHR | |
| SCHEMBL7371832 | 0.80 | SIGMAR1 (0.40) | SIGMAR1KCNH2KDM4EPOLBHRH3 | |
| SCHEMBL7366605 | 0.79 | SIGMAR1 (0.44) | SIGMAR1KCNH2CYP1A2CYP2D6TSHR | |
| SCHEMBL7384215 | 0.77 | SIGMAR1 (0.45) | SIGMAR1KCNH2CYP1A2CYP2D6TSHR | |
| SCHEMBL7385431 | 0.77 | SIGMAR1 (0.42) | SIGMAR1KCNH2CYP1A2CYP2D6TSHR | |
| SCHEMBL7364843 | 0.73 | SIGMAR1 (0.42) | SIGMAR1KCNH2KDM4EPOLBHRH3 | |
| SCHEMBL7372480 | 0.73 | BACE1 (0.45) | LTA4HKCNH2HRH3 | |
| SCHEMBL7447534 | 0.72 | HRH3 (0.37) | SIGMAR1LTA4HESR1KCNH2HRH3 | |
| SCHEMBL7368910 | 0.70 | LTA4H (0.39) | SIGMAR1LTA4HESR1KCNH2KDM4E | |
| SCHEMBL7373580 | 0.70 | KDM4E (0.45) | ESR1KCNH2CYP2D6KDM4EHRH3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994859-A1 | COMPOUNDS | Astra Aktiebolag (publ) (SE) | 2000-04-26 | — | — | EP | claimed |
| WO-1999001437-A1 | COMPOUNDS | ASTRA AKTIEBOLAG (PUBL) (SE) | 1999-01-14 | — | — | WO | claimed |
| EP-0994859-A1 | COMPOUNDS | Astra Aktiebolag (publ) (SE) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999001437-A1 | COMPOUNDS | ASTRA AKTIEBOLAG (PUBL) (SE) | 1999-01-14 | — | — | WO | disclosed |