Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | APLNR | P35414 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3946061 | 0.81 | APLNR (0.42) | CYP1A2SMN1; SMN2KDM4ELMNAAPLNR | |
| SCHEMBL4025184 | 0.79 | APLNR (0.43) | APLNRGABRA5AOC3 | |
| SCHEMBL31447986 | 0.77 | APLNR (0.42) | APLNRAOC3KMO | |
| SCHEMBL3923788 | 0.77 | APLNR (0.42) | APLNRAOC3KMO | |
| Hydrochloric Acid SCHEMBL4974167 | 0.77 | APLNR (0.42) | APLNRGABRA5AOC3 | |
| SCHEMBL4023229 | 0.75 | APLNR (0.41) | APLNRKMOALDH1A1 | |
| SCHEMBL18245918 | 0.74 | APLNR (0.50) | APLNRAOC3 | |
| SCHEMBL26621129 | 0.72 | APLNR (0.33) | APLNRAOC3 | |
| SCHEMBL4204388 | 0.72 | APLNR (0.50) | APLNRGABRA5KMOALDH1A1 | |
| SCHEMBL3728573 | 0.72 | APLNR (0.50) | APLNRGABRA5KMO |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009016410-A2 | CHEMICAL COMPOUNDS 831 | ASTRAZENECA AB (SE) | 2009-02-05 | — | — | WO | disclosed |
| WO-2008132502-A1 | PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-11-06 | — | — | WO | disclosed |