Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.46 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15638664 | 0.83 | TRPA1 (0.47) | TRPA1CSNK1ESLC6A2TAAR1MAOA | |
| SCHEMBL1715678 | 0.82 | SLC6A2 (0.48) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| Hydrochloric Acid SCHEMBL9320023 | 0.81 | SLC6A2 (0.47) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL6478746 | 0.78 | TRPA1 (0.52) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL9421889 | 0.78 | TRPA1 (0.48) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL6473879 | 0.78 | TRPA1 (0.52) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL6473888 | 0.78 | TRPA1 (0.52) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL5675485 | 0.76 | KDM4E (0.48) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL28801430 | 0.76 | TRPA1 (0.52) | TRPA1CSNK1ESLC6A2TAAR1MAOA | |
| SCHEMBL2288262 | 0.76 | MDM2 (0.48) | TRPA1ALPIPKMPTGS1XIAP |
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-5843946-A | α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1998-12-01 | — | — | US | disclosed |