Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNG | P07510 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CHRND | Q07001 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 4/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9099249 | 0.84 | CYP3A4 (0.38) | USP2CYP3A4CYP2D6TSHR | |
| SCHEMBL9099255 | 0.84 | CYP3A4 (0.38) | USP2CYP3A4CYP2D6TSHR | |
| SCHEMBL9106912 | 0.82 | ALDH1A1 (0.37) | USP2CYP3A4KDM2BALDH1A1CYP2D6 | |
| SCHEMBL9106904 | 0.82 | ALDH1A1 (0.37) | USP2CYP3A4KDM2BALDH1A1CYP2D6 | |
| SCHEMBL9289051 | 0.82 | CYP3A4 (0.40) | USP2CYP3A4ALDH1A1CYP2D6TSHR | |
| SCHEMBL9277007 | 0.81 | DRD4 (0.41) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL9276998 | 0.81 | DRD4 (0.41) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL9103967 | 0.80 | OPRD1 (0.37) | USP2CYP3A4CYP2D6 | |
| SCHEMBL9103958 | 0.80 | OPRD1 (0.37) | USP2CYP3A4CYP2D6 | |
| SCHEMBL9103975 | 0.80 | HTR1A (0.40) | — |
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-2012074469-A1 | NEW IKACH BLOCKERS | ASTRAZENECA AB (SE) | 2012-06-07 | — | — | WO | disclosed |