Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8535140 | 0.79 | ALDH1A1 (0.78) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| Ethion SCHEMBL9343797 | 0.79 | ALDH1A1 (0.68) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| Ethion SCHEMBL26750 | 0.79 | ALDH1A1 (0.68) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| SCHEMBL11123962 | 0.79 | ALDH1A1 (0.64) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| Ethion SCHEMBL28450266 | 0.78 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| Ethion SCHEMBL8388102 | 0.77 | ALDH1A1 (0.65) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| Ethion SCHEMBL8081169 | 0.76 | ALDH1A1 (0.59) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| SCHEMBL11413278 | 0.75 | ALDH1A1 (0.65) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| SCHEMBL6738140 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 | |
| SCHEMBL15332 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP3A4TSHRMEN1 |
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-0032191-A1 | Preparation of S-chloromethylated O-alkyl substituted phosphodithioic acids | DIAMOND SHAMROCK CORPORATION (US) | 1981-07-22 | — | — | EP | disclosed |
| US-4264533-A | BY REACTING THE S-HYDROXYMETHYL DERIVATIVE WITH AN ACID CHLORIDE IN A MUTUAL SOLVENT | DIAMOND SHAMROCK CORPORATION (US) | 1981-04-28 | — | — | US | disclosed |