Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 6/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.41 |
| ▸ | MTOR | P42345 | 5/20 | 0.40 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3878025 | 0.94 | TRPV1 (0.43) | PIK3CATRPV1MTORKDM4ELMNA | |
| SCHEMBL13761243 | 0.89 | TRPV1 (0.47) | PIK3CATRPV1MTORWDR5 | |
| SCHEMBL3879476 | 0.89 | TRPV1 (0.47) | PIK3CATRPV1MTORWDR5 | |
| SCHEMBL3888987 | 0.89 | TRPV1 (0.47) | PIK3CATRPV1MTORWDR5 | |
| SCHEMBL3877301 | 0.89 | PIK3CA (0.48) | PIK3CAMTORMAP3K12KDM4ELMNA | |
| SCHEMBL3885561 | 0.88 | PIK3CA (0.43) | PIK3CAMTORMAP3K12KDM4ELMNA | |
| SCHEMBL3994402 | 0.86 | TRPV1 (0.49) | PIK3CATRPV1MTORMAP3K12KDM4E | |
| SCHEMBL3883364 | 0.86 | TRPV1 (0.49) | PIK3CATRPV1MTORMAP3K12KDM4E | |
| SCHEMBL3943240 | 0.86 | TRPV1 (0.49) | PIK3CATRPV1MTORMAP3K12KDM4E | |
| SCHEMBL3882209 | 0.86 | MTOR (0.45) | PIK3CATRPV1MTORMAP3K12KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |
| US-7566712-B2 | Biaryl piperazinyl-pyridine analogues | NEUROGEN CORPORATION (US) | 2009-07-28 | — | — | US | disclosed |