Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL17033073 | 0.78 | ALDH1A1 (0.41) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL1865507 | 0.76 | ALDH1A1 (0.42) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL12586110 | 0.74 | P2RX7 (0.42) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL16590522 | 0.74 | ALDH1A1 (0.40) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL246083 | 0.72 | CHRNB2 (0.43) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL10283135 | 0.72 | CHRM2 (0.40) | OPRM1OPRL1CHRM2CHRM4CHRM5 | |
| SCHEMBL122354 | 0.71 | HCAR2 (0.42) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL13139599 | 0.70 | OPRM1 (0.41) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL24867577 | 0.69 | ALDH1A1 (0.43) | HCAR2OPRM1OPRL1CHRM2CHRM4 | |
| SCHEMBL11971740 | 0.69 | ALDH1A1 (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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-2611788-A2 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | University of Florida Research Foundation, Incorporated (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012031220-A2 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2012-03-08 | — | — | WO | disclosed |