Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5350757 | 0.87 | — | — | |
| SCHEMBL123788 | 0.84 | — | — | |
| SCHEMBL4780259 | 0.81 | — | — | |
| Fluoride SCHEMBL27845979 | 0.81 | — | — | |
| Propane SCHEMBL11380010 | 0.81 | TDP1 (0.35) | MEN1USP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL5342295 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL17870943 | 0.81 | — | — | |
| Phosphonic Acid SCHEMBL27740166 | 0.77 | MEN1 (0.31) | MEN1USP2ALDH1A1CYP1A2CYP3A4 | |
| Phosphoric Acid SCHEMBL28822582 | 0.77 | LMNA (0.33) | MEN1USP2ALDH1A1CYP1A2CYP3A4 | |
| Propionaldehyde SCHEMBL7776874 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1077918-B1 | SYNTHESIS AND PURIFICATION OF 3,3-DIMETHYLBUTYRALDEHYDE VIA OXIDATION OF 1-CHLORO-3, 3-DIMETHYLBUTANE WITH DIMETHYL SULFOXIDE | NUTRASWEET CO (US) | 2005-02-23 | — | — | EP | disclosed |
| EP-1077918-A1 | SYNTHESIS AND PURIFICATION OF 3,3-DIMETHYLBUTYRALDEHYDE VIA OXIDATION OF 1-CHLORO-3, 3-DIMETHYLBUTANE WITH DIMETHYL SULFOXIDE | THE NUTRASWEET COMPANY (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059951-A1 | SYNTHESIS AND PURIFICATION OF 3,3-DIMETHYLBUTYRALDEHYDE VIA OXIDATION OF 1-CHLORO-3, 3-DIMETHYLBUTANE WITH DIMETHYL SULFOXIDE | THE NUTRASWEET COMPANY (US) | 1999-11-25 | — | — | WO | disclosed |
| US-5905175-A | Synthesis and purification of 3,3-dimethylbutyraldehyde via oxidation of 1-chloro-3,3-dimethylbutane with dimethyl sulfoxide | THE NUTRASWEET COMPANY (US) | 1999-05-18 | — | — | US | disclosed |