Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL957737 | 0.90 | ADRA2C (0.41) | ADRA2CADRA1AADRA1BHTR6 | |
| Hydrochloric Acid SCHEMBL3362498 | 0.88 | ADRA2C (0.40) | ADRA2CADRA1AADRA1B | |
| SCHEMBL955620 | 0.84 | ADRA2C (0.42) | ADRA2CADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL3788306 | 0.83 | ADRA2C (0.41) | ADRA2CADRA1AADRA1B | |
| SCHEMBL4433088 | 0.80 | ADRA2C (0.37) | ADRA2CADRA1AADRA1BHTR6 | |
| SCHEMBL15959178 | 0.79 | KDM4E (0.37) | ADRA2CADRA1AADRA1B | |
| SCHEMBL28532534 | 0.79 | ADRA2A (0.40) | ADRA2CADRA1AKCNH2 | |
| Ammonia Solution, Strong SCHEMBL28316122 | 0.77 | MAPT (0.36) | ADRA2CADRA1AADRA1B | |
| SCHEMBL955664 | 0.77 | ADRA2C (0.39) | ADRA2CADRA1AADRA1B | |
| SCHEMBL2864998 | 0.75 | ADRA2C (0.38) | ADRA2CADRA1AADRA1B |
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-2238105-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009096701-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2009-08-06 | — | — | WO | disclosed |