Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | SCN1A | P35498 | 3/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3992907 | 0.82 | SCN1A (0.55) | HTTSLC6A2SLC6A4SLC6A3SCN1A | |
| Dimethylamine SCHEMBL29198789 | 0.76 | HTT (0.55) | HTTSLC6A2SLC6A4SLC6A3SCN1A | |
| SCHEMBL6743965 | 0.75 | HTT (0.46) | HTTSLC6A2SLC6A4SLC6A3SCN1A | |
| SCHEMBL27936077 | 0.75 | IDO1 (0.56) | HTTSLC6A2SLC6A4SLC6A3SCN1A | |
| Ethylene Glycol SCHEMBL27734001 | 0.74 | HTT (0.49) | HTTSLC6A2SLC6A4SLC6A3SCN1A | |
| SCHEMBL6507492 | 0.73 | ESR1 (0.44) | HTTSLC6A2SLC6A4SLC6A3LMNA | |
| SCHEMBL8300706 | 0.72 | HTT (0.46) | HTTSLC6A2SLC6A4SLC6A3SCN1A | |
| SCHEMBL11498772 | 0.71 | PPARA (0.46) | CHRM1CYP1A2 | |
| SCHEMBL231005 | 0.71 | ESR1 (0.56) | TSHRESR1KDM4E | |
| SCHEMBL27508162 | 0.70 | HTT (0.45) | HTTSLC6A2SLC6A4SLC6A3SCN1A |
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-2005100329-A1 | NOVEL PROTECTING REAGENTS, PROTECTING GROUPS AND METHODS OF FORMING AND USING THE SAME | THE UNIVERSITY OF MISSISSIPI (US) | 2005-10-27 | — | — | WO | disclosed |