Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.52 |
| ▸ | F7 | P08709 | 3/20 | 0.52 |
| ▸ | F3 | P13726 | 3/20 | 0.52 |
| ▸ | PPARG | P37231 | 3/20 | 0.52 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.52 |
| ▸ | PPARA | Q07869 | 3/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | PPARD | Q03181 | 2/20 | 0.52 |
| ▸ | RXRA | P19793 | 2/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8635444 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP19A1F7F3PPARG | |
| SCHEMBL8635449 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP19A1F7F3PPARG | |
| SCHEMBL6292855 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP19A1F7F3PPARG | |
| SCHEMBL17977128 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP19A1F7F3PPARG | |
| SCHEMBL17977129 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP19A1F7F3PPARG | |
| SCHEMBL15130662 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP19A1F7F3PPARG | |
| SCHEMBL11070303 | 0.92 | — | — | |
| SCHEMBL13480707 | 0.92 | — | — | |
| SCHEMBL11070308 | 0.92 | — | — | |
| SCHEMBL12654011 | 0.91 | ALDH1A1 (0.55) | ALDH1A1CYP19A1F7F3PPARG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218333-A4 | ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS | WOMENS & CHILDRENS HOSPITAL (AU) | 2003-07-09 | — | — | EP | disclosed |
| EP-1218333-A1 | ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS | WOMEN'S AND CHILDREN'S HOSPITAL (AU) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021575-A1 | ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS | WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) | 2001-03-29 | — | — | WO | disclosed |