Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.38 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949763 | 1.00 | PTGS1 (0.40) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL6945278 | 0.92 | ADORA3 (0.44) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL6945280 | 0.92 | ADORA3 (0.44) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL28231787 | 0.92 | ADORA3 (0.44) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL6951408 | 0.82 | ATM (0.48) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL6951405 | 0.82 | ATM (0.48) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL166677 | 0.82 | ADORA3 (0.41) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL166678 | 0.82 | ADORA3 (0.41) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL1357663 | 0.82 | ADORA3 (0.41) | PTGS1ADORA3NR1I2PTGS2PGR | |
| SCHEMBL1627822 | 0.79 | ADORA3 (0.55) | PTGS1ADORA3NR1I2PTGS2PGR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0816322-B1 | Fragrance precursors | GIVAUDAN SA (CH) | 2003-03-26 | — | — | EP | claimed |
| US-6306818-B1 | ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-10-23 | — | — | US | claimed |
| EP-0816322-A1 | Fragrance precursors | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1998-01-07 | — | — | EP | claimed |
| EP-0816322-B1 | Fragrance precursors | GIVAUDAN SA (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-6306818-B1 | ESTER, THIOESTER, ORGANIC CARBONATE AND/OR THIOCARBONATE DERIVATIVES; COSMETICS, DETERGENTS, FABRIC SOFTENERS, ANTIPERSPIRANTS; SUSTAINED SCENT | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2001-10-23 | — | — | US | disclosed |
| EP-0816322-A1 | Fragrance precursors | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1998-01-07 | — | — | EP | disclosed |