Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.74 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.74 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.71 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.71 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.70 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.63 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.63 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL11576265 | 0.95 | PTGS1 (0.68) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| SCHEMBL11142129 | 0.90 | PTGS1 (0.62) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| SCHEMBL16134306 | 0.87 | MEN1 (0.70) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| SCHEMBL13838303 | 0.87 | MEN1 (0.70) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| SCHEMBL16134310 | 0.87 | MEN1 (0.70) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| SCHEMBL11020445 | 0.86 | PTGS1 (0.72) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| Hydrochloric Acid SCHEMBL13737653 | 0.86 | MEN1 (0.73) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| SCHEMBL7946116 | 0.85 | PTGS1 (0.77) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| Prenalterol SCHEMBL249753 | 0.85 | PTGS1 (1.00) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 | |
| SCHEMBL22639751 | 0.85 | PTGS1 (0.77) | PTGS1SLC6A2ADRB2ADRB1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6239313-B1 | FROM AN INCLUSION COMPLEX OF EPOXIDE WITH CYCLODEXTRIN AND NUCLEOPHILIC COMPOUND | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2001-05-29 | — | — | US | disclosed |