Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL93286 | 0.85 | CYP3A4 (0.56) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| Hydrogen Sulfide SCHEMBL27351182 | 0.83 | CYP3A4 (0.54) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL4154543 | 0.81 | CYP3A4 (0.44) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL19193390 | 0.81 | GAA (0.61) | CYP3A4TSHRTRPA1TDP1GAA | |
| SCHEMBL240228 | 0.80 | CYP3A4 (0.42) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| Dimethylamine SCHEMBL28015585 | 0.79 | CYP3A4 (0.56) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL19876727 | 0.79 | CYP3A4 (0.50) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL7585383 | 0.79 | CYP3A4 (0.50) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| Methylene Chloride SCHEMBL28742398 | 0.78 | CYP3A4 (0.54) | CYP3A4TSHRTRPA1TDP1MAPK1 | |
| SCHEMBL11151377 | 0.78 | CYP3A4 (0.48) | CYP3A4TSHRTRPA1TDP1MAPK1 |
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-5045226-A | Reaction product of tin compound with sulfonyl isocyanate, storage stability, polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |