Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 6/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157186 | 1.00 | ALDH1A1 (0.47) | ALDH1A1GLAHPGDGAALMNA | |
| SCHEMBL14920461 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL784514 | 0.72 | ALDH1A1 (0.46) | ALDH1A1GLAHPGDGAALMNA | |
| SCHEMBL784479 | 0.71 | ALDH1A1 (0.52) | ALDH1A1GLAHPGDGAALMNA | |
| SCHEMBL7536561 | 0.71 | PLAU (0.47) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| Hydrochloric Acid SCHEMBL6157994 | 0.70 | ALDH1A1 (0.46) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL5202284 | 0.69 | GLA (0.53) | ALDH1A1GLAHPGDGAALMNA | |
| SCHEMBL14920829 | 0.68 | ALDH1A1 (0.47) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL12871592 | 0.68 | ALDH1A1 (0.50) | ALDH1A1GAALMNAPOLBCYP2C19 | |
| SCHEMBL6158224 | 0.67 | MEN1 (0.55) | ALDH1A1GLAHPGDGAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1204322-A1 | FUNGICIDES | Aventis CropScience GmbH (DE) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001011966-A1 | FUNGICIDES | AVENTIS CROPSCIENCE GMBH (DE) | 2001-02-22 | — | — | WO | disclosed |