Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
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 | 0.85 | — | — | |
| SCHEMBL8488488 | 0.82 | CYP2A6 (0.38) | CYP2A6IDO1ALDH1A1ALOX15MAPK1 | |
| Fluoride SCHEMBL28685325 | 0.82 | CYP2A6 (0.57) | CYP2A6IDO1ALDH1A1ALOX15MAPK1 | |
| Hydrochloric Acid SCHEMBL28463775 | 0.82 | — | — | |
| Water SCHEMBL28352869 | 0.82 | — | — | |
| SCHEMBL5314329 | 0.82 | — | — | |
| SCHEMBL7739898 | 0.82 | — | — | |
| SCHEMBL6519009 | 0.82 | — | — | |
| SCHEMBL8484800 | 0.78 | CYP2A6 (0.44) | CYP2A6IDO1ALDH1A1ALOX15MAPK1 | |
| SCHEMBL13429760 | 0.77 | ALDH1A1 (0.55) | CYP2A6IDO1ALDH1A1ALOX15MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5932731-A | HYDROLYZING A HETEROAROMATIC HALOGENATED METHYL SULFIDE IN PRESENCE OF AN ACID | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |