Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.39 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.38 |
| ▸ | UBE2M | P61081 | 1/20 | 0.35 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9279362 | 0.89 | HDAC8 (0.42) | HDAC8OPRK1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL9277511 | 0.87 | HDAC8 (0.45) | HDAC8TAS1R3TAS1R1TAS1R2GPBAR1 | |
| SCHEMBL9104321 | 0.87 | HDAC8 (0.47) | HDAC8OPRK1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL9104310 | 0.87 | HDAC8 (0.47) | HDAC8OPRK1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL9274779 | 0.86 | HRH3 (0.44) | HDAC8OPRK1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL9277120 | 0.85 | CHRM2 (0.39) | CHRM2ADRA2BDRD3SIGMAR1HRH3 | |
| SCHEMBL9274754 | 0.84 | SLC6A4 (0.41) | OPRK1 | |
| SCHEMBL9280325 | 0.81 | USP2 (0.50) | CHRM2ADRA2BDRD3SIGMAR1HRH3 | |
| SCHEMBL9277892 | 0.79 | ALDH1A1 (0.43) | CHRM2ADRA2BDRD3SIGMAR1HRH3 | |
| SCHEMBL9103741 | 0.77 | HDAC8 (0.42) | HDAC8TAS1R3TAS1R1TAS1R2HDAC4 |
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 |