Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11705367 | 0.82 | TAS1R3 (0.40) | SMN1; SMN2ALDH1A1LMNAPTGS1TRPA1 | |
| SCHEMBL18598339 | 0.81 | ADRA2A (0.39) | SMN1; SMN2ALDH1A1LMNAPTGS1TRPA1 | |
| SCHEMBL28242550 | 0.80 | ALDH1A1 (0.46) | SMN1; SMN2ALDH1A1LMNAPTGS1BCHE | |
| SCHEMBL31545523 | 0.80 | PTGS1 (0.61) | ALDH1A1LMNAPTGS1TRPA1CACNA1C | |
| SCHEMBL28295994 | 0.80 | CYP3A4 (0.46) | SMN1; SMN2ALDH1A1LMNAPTGS1BCHE | |
| SCHEMBL529617 | 0.80 | ESR1 (0.48) | ALDH1A1PTGS1TRPA1CACNA1CBCHE | |
| SCHEMBL29459520 | 0.80 | ESR1 (0.48) | ALDH1A1PTGS1TRPA1CACNA1CBCHE | |
| SCHEMBL11057467 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1LMNAPTGS1TRPA1 | |
| SCHEMBL6002859 | 0.79 | TRPA1 (0.39) | SMN1; SMN2ALDH1A1LMNAPTGS1TRPA1 | |
| SCHEMBL29503546 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1LMNAPTGS1TRPA1 |
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 |