Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5133372 | 0.86 | CYP3A4 (0.32) | ALDH1A1ALOX15SMN1; SMN2CYP3A4TP53 | |
| Hydrochloric Acid SCHEMBL7517167 | 0.84 | CYP3A4 (0.33) | ALDH1A1ALOX15SMN1; SMN2MAPK1CYP3A4 | |
| SCHEMBL6573311 | 0.83 | CNR1 (0.41) | ALDH1A1ALOX15HSD17B10HPGDHDAC3 | |
| SCHEMBL9283660 | 0.78 | TYR (0.47) | ALDH1A1ALOX15HSD17B10HPGDMAPK1 | |
| SCHEMBL6273700 | 0.73 | ESR1 (0.40) | ALDH1A1ALOX15HSD17B10HPGDALOX12 | |
| SCHEMBL27909752 | 0.72 | CYP3A4 (0.43) | ALDH1A1ALOX15HSD17B10HPGDSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9808420 | 0.71 | ESR1 (0.39) | ALDH1A1ALOX15HSD17B10HPGDALOX12 | |
| SCHEMBL7041926 | 0.71 | KDM4E (0.40) | ALDH1A1ALOX15HSD17B10MAPK1HDAC3 | |
| SCHEMBL9382243 | 0.71 | IDO1 (0.47) | ALDH1A1HSD17B10SMN1; SMN2MAPK1IDO1 | |
| SCHEMBL3838657 | 0.71 | PRKCI (0.34) | ALDH1A1GAAKDM4EPRKCI |
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-1976861-A2 | INHIBITING TUMOUR CELL INVASION, METASTASIS AND ANGIOGENESIS THROUGH TARGETTING LEGUMAIN | The Scripps Research Institute (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007064759-A2 | INHIBITING TUMOUR CELL INVASION, METASTASIS AND ANGIOGENESIS THROUGH TARGETTING LEGUMAIN | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-06-07 | — | — | WO | disclosed |