Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | PPARA | Q07869 | 3/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | PPARD | Q03181 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9585770 | 0.91 | ALDH1A1 (0.51) | ALDH1A1PPARAPPARGPPARDMAPT | |
| SCHEMBL9859946 | 0.87 | ALDH1A1 (0.63) | ALDH1A1PPARAPPARGPPARDMAPT | |
| SCHEMBL9711940 | 0.83 | PPARA (0.51) | ALDH1A1PPARAPPARGPPARDMAPT | |
| SCHEMBL9711788 | 0.81 | PPARA (0.49) | ALDH1A1PPARAPPARGPPARDMAPT | |
| SCHEMBL29137891 | 0.80 | ALDH1A1 (0.49) | ALDH1A1PPARAPPARGPPARDMAPT | |
| SCHEMBL9584987 | 0.79 | ALDH1A1 (0.51) | ALDH1A1TDP1 | |
| SCHEMBL17857336 | 0.77 | ALDH1A1 (0.46) | ALDH1A1PPARAPPARGPPARDMAPT | |
| SCHEMBL10529423 | 0.77 | ALDH1A1 (0.47) | ALDH1A1PPARAPPARGPPARDMAPT | |
| SCHEMBL14141498 | 0.72 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAGAATSHR | |
| SCHEMBL9859375 | 0.72 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4ELMNANPC1 |
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-0303227-B1 | ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-02-05 | — | — | EP | disclosed |