Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL538959 | 1.00 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL11403445 | 1.00 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL11404929 | 1.00 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL9212641 | 1.00 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL9950728 | 1.00 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL27617635 | 0.97 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL11346680 | 0.97 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL9304282 | 0.97 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL11181789 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL6268192 | 0.97 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4182757-A | Novel nitrosourea compounds and process for preparing the same | TANABE SEIYAKU CO., LTD. (JP) | 1980-01-08 | — | — | US | disclosed |