Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9485802 | 0.92 | CYP19A1 (0.38) | TAS1R3TAS1R1SMN1; SMN2TP53CYP2D6 | |
| SCHEMBL11706340 | 0.86 | SLC6A3 (0.41) | TAS1R3TAS1R1SMN1; SMN2SLC6A3PPARG | |
| SCHEMBL11702380 | 0.84 | SLC6A3 (0.40) | SLC6A3PPARGPPARA | |
| SCHEMBL11701801 | 0.84 | SLC6A3 (0.40) | SLC6A3PPARGPPARA | |
| SCHEMBL11705080 | 0.84 | SLC6A3 (0.40) | SLC6A3PPARGPPARA | |
| SCHEMBL11500415 | 0.84 | SLC6A3 (0.40) | SLC6A3PPARGPPARA | |
| SCHEMBL11705335 | 0.84 | SLC6A3 (0.40) | SLC6A3PPARGPPARA | |
| SCHEMBL11443940 | 0.84 | SLC6A3 (0.40) | SLC6A3PPARGPPARA | |
| SCHEMBL11705337 | 0.82 | SMN1; SMN2 (0.43) | TAS1R3TAS1R1SMN1; SMN2TP53CYP2D6 | |
| SCHEMBL68663 | 0.82 | ESR1 (0.47) | TP53CYP2D6CYP2C9ALOX15CYP2C19 |
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-4022838-A | 1,1-DIAR-KETONES, NITRIC ACID, WATER | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1977-05-10 | — | — | US | disclosed |