Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.37 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.33 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28264855 | 1.00 | — | — | |
| SCHEMBL48322 | 0.97 | — | — | |
| SCHEMBL29565928 | 0.97 | — | — | |
| SCHEMBL28074146 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7262825 | 0.94 | — | — | |
| Pentachlorophenol SCHEMBL11122587 | 0.80 | TSHR (0.46) | TSHRLMNAIDO1ALDH1A1CYP1A2 | |
| SCHEMBL11453837 | 0.80 | TSHR (0.39) | TSHRLMNAIDO1ALDH1A1CYP2A6 | |
| Trifluoromethylbenzene SCHEMBL28919083 | 0.78 | TSHR (0.61) | TSHRLMNAIDO1ALDH1A1TDO2 | |
| SCHEMBL5009584 | 0.77 | TSHR (0.37) | TSHRLMNAIDO1ALDH1A1CYP2A6 | |
| SCHEMBL8487569 | 0.77 | MAPT (0.40) | TSHRLMNAIDO1ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101475517-B | Preparation of symmetrical disulfide bond-bearing compound | UNIV HENAN | 2012-08-15 | — | — | CN | disclosed |
| CN-101475517-A | Preparation of symmetrical disulfide bond-bearing compound | UNIV HENAN (CN) | 2009-07-08 | — | — | CN | disclosed |