Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 6/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESRRB | O95718 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL1668476 | 0.82 | CYP2D6 (0.46) | CYP2D6TACR1SMN1; SMN2OPRM1OPRL1 | |
| SCHEMBL16499539 | 0.77 | OPRD1 (0.52) | TACR1ESRRGESR1ESRRBOPRM1 | |
| SCHEMBL16511876 | 0.77 | DRD4 (0.47) | CYP2D6ALDH1A1BACE1KDM4EGAA | |
| SCHEMBL16498996 | 0.75 | OPRM1 (0.44) | BACE1OPRM1OPRD1OPRK1DRD4 | |
| Prodipine SCHEMBL148420 | 0.74 | CYP2D6 (1.00) | CYP2D6TACR1SMN1; SMN2OPRM1KCNH2 | |
| SCHEMBL12800426 | 0.73 | CYP2D6 (0.37) | CYP2D6TACR1OPRM1OPRD1OPRK1 | |
| SCHEMBL16499115 | 0.73 | FFAR1 (0.41) | OPRD1OPRK1 | |
| Prodipine SCHEMBL11739494 | 0.73 | CYP2D6 (0.96) | CYP2D6TACR1SMN1; SMN2OPRM1KCNH2 | |
| SCHEMBL16499514 | 0.72 | DRD4 (0.42) | SMN1; SMN2ALDH1A1KDM4EMAPTESR1 | |
| SCHEMBL1668486 | 0.72 | SMN1; SMN2 (0.43) | CYP2D6TACR1SMN1; SMN2OPRM1 |
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-2011154678-A1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |
| WO-2011154678-A1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |