Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.40 |
| ▸ | GPX4 | P36969 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17127373 | 1.00 | ALDH1A1 (0.41) | ALDH1A1PTPN1GPX4POLBKDM4E | |
| SCHEMBL18503096 | 1.00 | ALDH1A1 (0.41) | ALDH1A1PTPN1GPX4POLBKDM4E | |
| SCHEMBL803271 | 1.00 | ALDH1A1 (0.41) | ALDH1A1PTPN1GPX4POLBKDM4E | |
| SCHEMBL16488176 | 1.00 | ALDH1A1 (0.41) | ALDH1A1PTPN1GPX4POLBKDM4E | |
| SCHEMBL22821594 | 0.90 | ALDH1A1 (0.39) | ALDH1A1PTPN1POLBCA1CA2 | |
| SCHEMBL19683217 | 0.88 | PTPN1 (0.39) | ALDH1A1PTPN1CA1CA2CA9 | |
| SCHEMBL18510006 | 0.88 | PTPN1 (0.39) | ALDH1A1PTPN1CA1CA2CA9 | |
| SCHEMBL17209107 | 0.87 | ALDH1A1 (0.39) | ALDH1A1PTPN1GPX4POLBKDM4E | |
| SCHEMBL15196180 | 0.87 | ALDH1A1 (0.39) | ALDH1A1PTPN1GPX4POLBKDM4E | |
| SCHEMBL21162944 | 0.86 | POLB (0.37) | ALDH1A1PTPN1POLBCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012072201-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2012-06-07 | — | — | WO | disclosed |