Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 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 | |
|---|---|---|---|---|
| SCHEMBL8576265 | 0.76 | KCNN4 (0.43) | CYP2C19KCNN4ALDH1A1TSHRHIF1A | |
| SCHEMBL7147799 | 0.71 | KCNN4 (0.39) | CYP2C19KCNN4ALDH1A1TSHRHIF1A | |
| SCHEMBL7147541 | 0.71 | KCNN4 (0.39) | CYP2C19KCNN4ALDH1A1TSHRHIF1A | |
| Propane SCHEMBL27957403 | 0.70 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP2C9KCNN4ALDH1A1 | |
| SCHEMBL9194705 | 0.70 | CYP2C19 (0.52) | CYP2C19CYP1A2CYP2C9KCNN4ALDH1A1 | |
| SCHEMBL4307361 | 0.69 | CYP2C19 (0.56) | CYP2C19CYP1A2CYP2C9KCNN4ALDH1A1 | |
| SCHEMBL4433627 | 0.69 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP2C9KCNN4ALDH1A1 | |
| Propane SCHEMBL9067218 | 0.69 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP2C9KCNN4ALDH1A1 | |
| SCHEMBL536039 | 0.69 | CYP2C19 (0.44) | CYP2C19CYP1A2CYP2C9KCNN4ALDH1A1 | |
| SCHEMBL246639 | 0.69 | SMN1; SMN2 (0.52) | CYP2C19CYP1A2CYP2C9KCNN4SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037062-A2 | NEW ROUTE TO SYNTHETIC ANALOGUES OF ROCAGLAMIDE AND AGLAFOLINE USING CASCADE TRANSFORMATIONS INITIATED BY OXY-COPE REARRANGEMENTS OF BIS-ALKYNES | FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2012-03-22 | — | — | WO | disclosed |