Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 6/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3674446 | 0.82 | IDO1 (0.38) | GRM5GRM1DYRK1A | |
| SCHEMBL3676949 | 0.81 | SCN9A (0.38) | DPP4 | |
| SCHEMBL841364 | 0.80 | SCN5A (0.38) | ADORA2BPARP10PARP11DHFRBACE1 | |
| Ammonia Solution, Strong SCHEMBL3674494 | 0.79 | SCN5A (0.37) | ADORA2BPARP10PARP11DHFRBACE1 | |
| SCHEMBL3672628 | 0.75 | SCN9A (0.41) | BACE1 | |
| SCHEMBL3667284 | 0.75 | KCNH2 (0.46) | DPP4 | |
| SCHEMBL3672940 | 0.73 | DHFR (0.33) | DPP4DHFR | |
| SCHEMBL3668903 | 0.72 | SCN9A (0.41) | DPP4DHFR | |
| SCHEMBL3673795 | 0.72 | DHFR (0.33) | DPP4DHFR | |
| SCHEMBL3730969 | 0.71 | CREBBP (0.50) | DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2158198-A2 | NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN | AstraZeneca AB (SE) | 2010-03-03 | — | — | EP | disclosed |
| WO-2008130320-A2 | NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |