Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.80 |
| ▸ | HTT | P42858 | 1/20 | 0.80 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.68 |
| ▸ | PTGES2 | Q9H7Z7 | 11/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1122377 | 0.81 | PTGES2 (0.70) | ALDH1A1HTTNFE2L2PTGES2 | |
| SCHEMBL3784003 | 0.77 | PTGES2 (1.00) | PTGES2 | |
| SCHEMBL3784006 | 0.77 | PTGES2 (1.00) | PTGES2 | |
| SCHEMBL7586724 | 0.76 | NPC1 (0.68) | ALDH1A1HTTNPC1TSHRLMNA | |
| SCHEMBL827959 | 0.75 | KMT2A (0.62) | ALDH1A1HTTPTGES2TSHRLMNA | |
| SCHEMBL827960 | 0.75 | KMT2A (0.62) | ALDH1A1HTTPTGES2TSHRLMNA | |
| SCHEMBL827806 | 0.75 | ALDH1A1 (0.74) | ALDH1A1NFE2L2PTGES2NPC1TSHR | |
| SCHEMBL827807 | 0.75 | ALDH1A1 (0.74) | ALDH1A1NFE2L2PTGES2NPC1TSHR | |
| SCHEMBL5133193 | 0.73 | KMT2A (0.60) | ALDH1A1HTTNFE2L2PTGES2TSHR | |
| SCHEMBL1122657 | 0.73 | PTGES2 (0.69) | ALDH1A1HTTNFE2L2PTGES2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896401-A2 | UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS | Temple University of the Commonwealth System of Higher Education (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006091870-A2 | UNSATURATED SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES SYNTHESIS | TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2006-08-31 | — | — | WO | disclosed |