Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 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 | |
|---|---|---|---|---|
| SCHEMBL9256581 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TRPA1NPSR1GLO1CYP2D6 | |
| SCHEMBL27499186 | 0.83 | NPSR1 (0.43) | ALDH1A1TRPA1NPSR1GLO1CYP2D6 | |
| SCHEMBL30150880 | 0.81 | NPSR1 (0.42) | ALDH1A1NPSR1GLO1CYP2D6SMN1; SMN2 | |
| SCHEMBL14616333 | 0.79 | NPSR1 (0.41) | ALDH1A1NPSR1GLO1CYP2D6SMN1; SMN2 | |
| SCHEMBL13429276 | 0.79 | NPSR1 (0.41) | ALDH1A1NPSR1GLO1CYP2D6SMN1; SMN2 | |
| SCHEMBL10333426 | 0.78 | — | — | |
| SCHEMBL30558699 | 0.78 | — | — | |
| SCHEMBL4778257 | 0.78 | GLO1 (0.48) | ALDH1A1TRPA1NPSR1GLO1CYP2D6 | |
| SCHEMBL4778252 | 0.78 | GLO1 (0.48) | ALDH1A1TRPA1NPSR1GLO1CYP2D6 | |
| SCHEMBL3439196 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5459149-A | Penta-2,4-dienamides and use as pesticides | ROUSSEL UCLAF (FR) | 1995-10-17 | — | — | US | disclosed |
| US-5270343-A | Penta-2,4-dienamides and use as pesticides | ROUSSEL UCLAF (FR) | 1993-12-14 | — | — | US | disclosed |
| US-4902835-A | Fluorinated butene derivatives and methods for their preparation | THE UNIVERSITY OF ROCHESTER (US) | 1990-02-20 | — | — | US | disclosed |