Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | HPGDS | O60760 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2104811 | 0.85 | ALDH1A1 (0.73) | ALDH1A1HPGDSRAB9ANPC1PTPN1 | |
| SCHEMBL3098211 | 0.84 | ALDH1A1 (1.00) | ALDH1A1HPGDSRAB9ANPC1POLB | |
| Hydrochloric Acid SCHEMBL6822031 | 0.83 | ALDH1A1 (0.97) | ALDH1A1HPGDSRAB9ANPC1POLB | |
| SCHEMBL7776324 | 0.80 | ALDH1A1 (0.65) | ALDH1A1HPGDSRAB9ANPC1PTPN1 | |
| SCHEMBL26319518 | 0.79 | ALDH1A1 (0.73) | ALDH1A1HPGDSRAB9ANPC1PTPN1 | |
| SCHEMBL1785557 | 0.79 | ALDH1A1 (0.73) | ALDH1A1HPGDSRAB9ANPC1POLB | |
| SCHEMBL352152 | 0.79 | HPGDS (0.73) | ALDH1A1HPGDSRAB9ANPC1PTPN1 | |
| SCHEMBL14301138 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HPGDSRAB9ANPC1POLB | |
| SCHEMBL24136179 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HPGDSRAB9ANPC1POLB | |
| SCHEMBL3412110 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HPGDSRAB9ANPC1PTPN1 |
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-1727797-B1 | PROCESS FOR CROSS COUPLING INDOLES | BOEHRINGER INGELHEIM PHARMA (US) | 2012-05-30 | — | — | EP | disclosed |