Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL9276998 | 1.00 | DRD4 (0.41) | DRD4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL9274756 | 0.81 | ADORA2A (0.43) | DRD4CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL9105581 | 0.78 | MAOA (0.36) | MEN1KMT2A | |
| SCHEMBL9105573 | 0.78 | MAOA (0.36) | MEN1KMT2A | |
| SCHEMBL9102747 | 0.78 | KDM4E (0.36) | SLC6A2SLC6A3ALDH1A1KDM4E | |
| SCHEMBL9102666 | 0.78 | P2RX7 (0.38) | — | |
| SCHEMBL9102756 | 0.78 | KDM4E (0.36) | SLC6A2SLC6A3ALDH1A1KDM4E | |
| SCHEMBL9102655 | 0.78 | P2RX7 (0.38) | — | |
| SCHEMBL9101316 | 0.77 | MAOA (0.38) | TAS1R3TAS1R1SMN1; SMN2 | |
| SCHEMBL9101325 | 0.77 | MAOA (0.38) | TAS1R3TAS1R1SMN1; SMN2 |
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 |