Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | SERPINE1 | P05121 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8745525 | 0.85 | ALDH1A1 (0.46) | TSHRCASP1ALDH1A1HTTGAA | |
| Ethylenediamine SCHEMBL11303876 | 0.81 | ALDH1A1 (0.52) | TSHRCASP1ALDH1A1GAAPKM | |
| SCHEMBL6669968 | 0.80 | CA2 (0.55) | TSHRCASP1HTTGAAPKM | |
| SCHEMBL13204260 | 0.78 | GAA (0.53) | TSHRCASP1ALDH1A1GAAPKM | |
| SCHEMBL563388 | 0.78 | ALDH1A1 (0.55) | TSHRCASP1ALDH1A1GAAPKM | |
| Hydrochloric Acid SCHEMBL28252264 | 0.76 | ALDH1A1 (0.53) | TSHRCASP1ALDH1A1GAAPKM | |
| SCHEMBL26936872 | 0.76 | ENPP2 (0.52) | TSHRCASP1ALDH1A1GAAPKM | |
| Water SCHEMBL2538022 | 0.76 | ALDH1A1 (0.53) | TSHRCASP1ALDH1A1GAAPKM | |
| SCHEMBL5155863 | 0.76 | TSHR (0.45) | TSHRCASP1ALDH1A1GAAPKM | |
| SCHEMBL28100405 | 0.76 | GAA (0.66) | ALDH1A1HTTGAAPKMCA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003068204-A1 | SYNTHESIS OF SUBSTITUTED SULFONYL AMINES | Grünenthal GmbH (DE) | 2003-08-21 | — | — | WO | claimed |
| WO-2003068204-A1 | SYNTHESIS OF SUBSTITUTED SULFONYL AMINES | Grünenthal GmbH (DE) | 2003-08-21 | — | — | WO | disclosed |