Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9048386 | 1.00 | NR1I2 (0.59) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL9183887 | 0.88 | NR1I2 (0.60) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL9183882 | 0.88 | NR1I2 (0.60) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL11399358 | 0.86 | NR1I2 (0.51) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL11301330 | 0.86 | NR1I2 (0.51) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL11399361 | 0.86 | NR1I2 (0.51) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL15130626 | 0.85 | ADORA3 (0.80) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL4425859 | 0.85 | ADORA3 (0.80) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL4984694 | 0.85 | ADORA3 (0.80) | NR1I2PGRADORA3PTGS2PDE4D | |
| SCHEMBL442556 | 0.85 | ADORA3 (0.80) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0718273-A1 | Ethyl 6-formyl-4-hexenoate | MERRELL PHARMACEUTICALS INC. (US) | 1996-06-26 | — | — | EP | disclosed |
| EP-0718273-A1 | Ethyl 6-formyl-4-hexenoate | MERRELL PHARMACEUTICALS INC. (US) | 1996-06-26 | — | — | EP | disclosed |