Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL21402191 | 1.00 | ALDH1A1 (0.72) | ALDH1A1LMNATSHRTDP1CYP3A4 | |
| Ether SCHEMBL729667 | 0.91 | ALDH1A1 (0.60) | ALDH1A1LMNATSHRTDP1CYP3A4 | |
| Ethylene Glycol SCHEMBL8663623 | 0.89 | ALDH1A1 (0.90) | ALDH1A1LMNATSHRTDP1CYP3A4 | |
| Ethylene SCHEMBL16800083 | 0.85 | ALDH1A1 (0.90) | ALDH1A1LMNATSHRTDP1CYP3A4 | |
| SCHEMBL8420801 | 0.85 | — | — | |
| SCHEMBL16324 | 0.85 | — | — | |
| SCHEMBL6249719 | 0.85 | ALDH1A1 (1.00) | ALDH1A1LMNATSHRTDP1CYP3A4 | |
| SCHEMBL9492501 | 0.85 | — | — | |
| Ethylene Glycol SCHEMBL12970980 | 0.83 | TSHR (0.54) | ALDH1A1LMNATSHRTDP1CYP3A4 | |
| Formaldehyde SCHEMBL9156961 | 0.83 | ALDH1A1 (0.86) | ALDH1A1LMNATSHRTDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125839-A1 | DITHIOPHOSPHATE COMPOSITION AND UTILITY IN RUBBER | R.T. Vanderbilt Company, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008095070-A1 | DITHIOPHOSPHATE COMPOSITION AND UTILITY IN RUBBER | R.T. VANDERBILY COMPANY, INC. (US) | 2008-08-07 | — | — | WO | disclosed |