Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 3/20 | 0.39 |
| ▸ | DGKA | P23743 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11399361 | 1.00 | NR1I2 (0.51) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL11301330 | 1.00 | NR1I2 (0.51) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL9183887 | 0.89 | NR1I2 (0.60) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL9183882 | 0.89 | NR1I2 (0.60) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL525668 | 0.87 | — | — | |
| SCHEMBL9047374 | 0.86 | NR1I2 (0.59) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL9048386 | 0.86 | NR1I2 (0.59) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL31275312 | 0.86 | NR1I2 (0.53) | NR1I2PGRADORA3PTGS2PDE4D | |
| Ethane SCHEMBL27723238 | 0.85 | CYP1A2 (0.48) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL3505842 | 0.83 | NR1I2 (0.55) | NR1I2PGRADORA3PTGS2PDE4D |
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-4304793-A | Polyunsaturated aliphatic esters as flavoring ingredients | FIRMENICH SA (CH) | 1981-12-08 | — | — | US | disclosed |
| US-3989729-A | Synthesis of 8-oxo-4-cis-octenoic acid ester | ZOECON CORPORATION (US) | 1976-11-02 | — | — | US | disclosed |
| US-3987073-A | SYNTHESIS OF TRIDECADIENOIC ESTERS | ZOECON CORPORATION (US) | 1976-10-19 | — | — | US | disclosed |
| US-3953532-A | 4,8-Tridecadien-1-ol,4 cis,8 cis,trans | ZOECON CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |