Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SYNJ2 | O15056 | 1/20 | 0.36 |
| ▸ | SLC28A3 | Q9HAS3 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29727271 | 1.00 | ALDH1A1 (0.71) | ALDH1A1TSHRKDM4EGLACYP3A4 | |
| SCHEMBL29208523 | 1.00 | ALDH1A1 (0.71) | ALDH1A1TSHRKDM4EGLACYP3A4 | |
| Harpagide SCHEMBL30132931 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRKDM4EGLACYP3A4 | |
| Harpagide SCHEMBL29385820 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRKDM4EGLACYP3A4 | |
| Harpagide SCHEMBL1425414 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRKDM4EGLACYP3A4 | |
| Harpagoside SCHEMBL893387 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TSHRKDM4EGLACYP3A4 | |
| SCHEMBL9695651 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TSHRPOLBCTDSP1MAPT | |
| SCHEMBL29425860 | 0.79 | ALDH1A1 (0.49) | ALDH1A1TSHRPOLBCTDSP1MAPT | |
| SCHEMBL6847752 | 0.77 | ALDH1A1 (0.88) | ALDH1A1TSHRKDM4EGLACYP3A4 | |
| SCHEMBL3202619 | 0.76 | HSP90AA1 (0.50) | ALDH1A1TSHRKDM4EGLACYP3A4 |
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-3409766-B1 | AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS | N ZYME BIOTEC GMBH (DE) | 2022-03-09 | — | — | EP | disclosed |