Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NT5E | P21589 | 2/20 | 0.44 |
| ▸ | CASP6 | P55212 | 2/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11330621 | 0.81 | LMNA (0.57) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL1374724 | 0.80 | TSHR (0.59) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL29670171 | 0.79 | NT5E (0.66) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL158630 | 0.79 | NT5E (0.66) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL947445 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL1376919 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL8784778 | 0.77 | NT5E (0.64) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| Water SCHEMBL20296902 | 0.77 | NT5E (0.64) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL1802953 | 0.76 | LMNA (0.67) | ALDH1A1HSD17B10TSHRLMNAMAPT | |
| SCHEMBL11021129 | 0.76 | NT5E (0.62) | ALDH1A1HSD17B10TSHRLMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0433764-A1 | Reactive dyestuffs with triazin- and chlorobutinyl anchor | BASF Aktiengesellschaft (DE) | 1991-06-26 | — | — | EP | disclosed |