Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TOP2A | P11388 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10992511 | 0.75 | RECQL (0.63) | ALDH1A1TSHRMAPTGAAHSD17B10 | |
| SCHEMBL11418576 | 0.74 | POLB (0.64) | ALDH1A1POLBHTTHSD17B10SMN1; SMN2 | |
| SCHEMBL5493249 | 0.73 | ALDH1A1 (0.40) | ALDH1A1CA2POLBMAPTHTT | |
| SCHEMBL7488715 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNA | |
| SCHEMBL15742353 | 0.71 | POLB (0.59) | ALDH1A1POLBGAAHTTHSD17B10 | |
| SCHEMBL1241817 | 0.71 | ALDH1A1 (0.74) | ALDH1A1TSHRPOLBMAPTGAA | |
| SCHEMBL282768 | 0.70 | HSD17B10 (0.70) | ALDH1A1TSHRPOLBMAPTHTT | |
| SCHEMBL5172686 | 0.69 | — | — | |
| SCHEMBL10995308 | 0.69 | POLB (0.44) | ALDH1A1POLBMAPTGAAHTT | |
| SCHEMBL7490071 | 0.69 | CA1 (0.43) | ALDH1A1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4500715-A | CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-02-19 | — | — | US | disclosed |
| US-4268438-A | Cationic 1,3,4-thiadiazole dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1981-05-19 | — | — | US | disclosed |