Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
| ▸ | DBH | P09172 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4547651 | 0.87 | PTGS2 (0.58) | PTGS2TUBB1DBHHTR2A | |
| Ethylbenzene SCHEMBL27338697 | 0.78 | TP53 (0.82) | TP53LTA4HTSHRSMN1; SMN2 | |
| SCHEMBL11990075 | 0.76 | TP53 (0.41) | TP53LTA4HTSHRMAPK1HTR2A | |
| SCHEMBL15109247 | 0.74 | DRD2 (0.50) | PTGS2TUBB1DBHSMN1; SMN2HTR2A | |
| SCHEMBL31063556 | 0.74 | PTGS2 (0.48) | PTGS2TUBB1DBHTSHRHTR2A | |
| SCHEMBL31063009 | 0.71 | PTGS2 (0.46) | PTGS2TUBB1DBHHTR2A | |
| SCHEMBL25439958 | 0.71 | L3MBTL1 (0.53) | MAPK1 | |
| SCHEMBL12653305 | 0.71 | ALDH1A1 (0.42) | LTA4HTSHRSMN1; SMN2MAOB | |
| SCHEMBL13548271 | 0.71 | HTR2A (0.44) | PTGS2TUBB1DBHHTR2A | |
| Ethylbenzene SCHEMBL11223212 | 0.71 | TP53 (1.00) | TP53TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1038932-C | Stereoselective preparation of substituted piperidines | PFIZER (US) | 1998-07-01 | — | — | CN | disclosed |
| CN-1065264-A | The stereoselectivity preparation method of the piperidines that replaces | PFIZER (US) | 1992-10-14 | — | — | CN | disclosed |