Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL440395 | 0.89 | NOS3 (0.42) | GABRA1GABRB2NOS3NOS1NOS2 | |
| SCHEMBL462794 | 0.88 | CYP3A4 (0.52) | GABRA1GABRB2CYP3A4NOS3NOS1 | |
| SCHEMBL29795971 | 0.86 | GABRA1 (0.61) | GABRA1GABRB2CYP3A4NOS3NOS1 | |
| SCHEMBL93290 | 0.86 | GABRA1 (0.61) | GABRA1GABRB2CYP3A4NOS3NOS1 | |
| SCHEMBL9764244 | 0.81 | CYP3A4 (0.42) | GABRA1GABRB2CYP3A4NOS3NOS1 | |
| Toluene SCHEMBL28374872 | 0.80 | CYP3A4 (0.48) | GABRA1GABRB2CYP3A4NOS3NOS1 | |
| SCHEMBL7001694 | 0.78 | GABRA1 (0.52) | GABRA1GABRB2CYP3A4SIGMAR1GRIN2D | |
| SCHEMBL3836353 | 0.78 | TSHR (0.53) | GABRA1GABRB2CYP3A4NOS3NOS1 | |
| SCHEMBL28864346 | 0.77 | CYP3A4 (0.52) | GABRA1GABRB2CYP3A4NOS3NOS1 | |
| SCHEMBL1456958 | 0.77 | GABRA1 (0.70) | GABRA1GABRB2CYP3A4TSHR |
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-0271914-B1 | POLYESTERAMIDE WITH IMPROVED COMPRESSION SET | THE DOW CHEMICAL COMPANY (US) | 1992-01-08 | — | — | EP | disclosed |
| EP-0271914-A2 | Polyesteramide with improved compression set | THE DOW CHEMICAL COMPANY (US) | 1988-06-22 | — | — | EP | disclosed |