Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 2/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | BID | P55957 | 3/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.40 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL11352153 | 0.98 | LIPG (0.49) | CHATLIPGTRPA1NFE2L2EGFR | |
| SCHEMBL28845923 | 0.98 | LIPG (0.49) | CHATLIPGTRPA1NFE2L2EGFR | |
| SCHEMBL560985 | 0.95 | CHAT (0.47) | CHATLIPGTRPA1NFE2L2EGFR | |
| SCHEMBL4326063 | 0.95 | CHAT (0.47) | CHATLIPGTRPA1NFE2L2EGFR | |
| SCHEMBL6546316 | 0.87 | CHAT (0.50) | CHATTRPA1NFE2L2PTGER4PTGER3 | |
| SCHEMBL6546302 | 0.87 | CHAT (0.50) | CHATTRPA1NFE2L2PTGER4PTGER3 | |
| SCHEMBL5460484 | 0.86 | ALOX5 (0.50) | CHATLIPGTRPA1MAPTBID | |
| SCHEMBL5460489 | 0.85 | NFE2L2 (0.47) | CHATLIPGTRPA1NFE2L2BID | |
| SCHEMBL2496686 | 0.82 | CYSLTR2 (0.41) | CHATLIPGTRPA1NFE2L2EGFR | |
| SCHEMBL9393856 | 0.82 | CHAT (0.43) | CHATLIPGTRPA1NFE2L2EGFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706839-B1 | COVALENTLY BONDING SEPARATING AGENT TO REACTANT; ISOMERIZATION | UNIVERSITY OF PITTSBURGH | 2004-03-16 | — | — | US | disclosed |
| EP-1165222-A4 | CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME | UNIV PITTSBURGH (US) | 2003-05-21 | — | — | EP | disclosed |
| EP-1165222-A1 | CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME | UNIVERSITY OF PITTSBURGH (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000047031-A2 | CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME | UNIVERSITY OF PITTSBURGH (US) | 2000-08-17 | — | — | WO | disclosed |