Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 5/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Citric Acid SCHEMBL4797837 | 0.85 | ALDH1A1 (0.39) | FDPSTSHRHDAC1HDAC6NLRP3 | |
| SCHEMBL846777 | 0.84 | FDPS (0.51) | FDPSTSHRHDAC1HDAC6NLRP3 | |
| SCHEMBL13442958 | 0.84 | FDPS (0.51) | FDPSTSHRNOS1HDAC1HDAC6 | |
| SCHEMBL4791740 | 0.84 | FDPS (0.51) | FDPSTSHRHDAC1HDAC6NLRP3 | |
| SCHEMBL4940046 | 0.79 | FDPS (0.47) | FDPSTSHRHDAC1HDAC6NLRP3 | |
| SCHEMBL16029636 | 0.79 | NLRP3 (0.51) | FDPSTSHRHDAC1HDAC6NLRP3 | |
| SCHEMBL10222182 | 0.75 | FDPS (0.50) | FDPSTSHRNOS1HDAC1HDAC6 | |
| SCHEMBL11189962 | 0.75 | — | — | |
| SCHEMBL18231656 | 0.75 | — | — | |
| SCHEMBL34468064 | 0.75 | — | — |
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-1893610-A2 | ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS | Pfizer, Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134486-A2 | ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS | PFIZER JAPAN INC. (JP) | 2006-12-21 | — | — | WO | disclosed |