Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | GLB1 | P16278 | 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 | |
|---|---|---|---|---|
| SCHEMBL17193 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL28463775 | 0.93 | — | — | |
| Fluoride SCHEMBL28685325 | 0.93 | CYP2A6 (0.57) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL6519009 | 0.93 | — | — | |
| SCHEMBL5314329 | 0.93 | — | — | |
| SCHEMBL7739898 | 0.93 | — | — | |
| Water SCHEMBL28352869 | 0.93 | — | — | |
| SCHEMBL13429760 | 0.87 | ALDH1A1 (0.55) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL8484800 | 0.82 | CYP2A6 (0.44) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL8488489 | 0.82 | CYP2A6 (0.44) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 |
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 |