Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.68 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.68 |
| ▸ | CASP3 | P42574 | 1/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.58 |
| ▸ | PARK7 | Q99497 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | APAF1 | O14727 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3870839 | 0.84 | ALDH1A1 (0.66) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL34464362 | 0.83 | CASP3 (0.65) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL2187848 | 0.83 | CASP3 (0.65) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL29724090 | 0.83 | CASP3 (0.86) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL1142116 | 0.83 | CASP3 (0.86) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL1128881 | 0.83 | CYP1B1 (0.59) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL10661191 | 0.81 | CASP3 (0.62) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL8040297 | 0.81 | PARK7 (0.68) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 | |
| SCHEMBL16799029 | 0.81 | ALDH1A1 (1.00) | ALDH1A1ALDH2ALDH3A1CASP3PARK7 | |
| SCHEMBL822573 | 0.80 | ALDH1A1 (0.75) | ALDH1A1ALDH2ALDH3A1CASP3CYP1B1 |
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-0323807-A2 | Certain 2-substituted adenosine derivatives | CIBA-GEIGY AG (CH) | 1989-07-12 | — | — | EP | disclosed |