Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23511720 | 0.94 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| Water SCHEMBL28292285 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL28569941 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL11666352 | 0.82 | MAPT (0.43) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL3661250 | 0.80 | HSP90AA1 (0.52) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL9673157 | 0.79 | KDM4E (0.44) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL29109119 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL4567034 | 0.77 | MAPT (0.51) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL7897387 | 0.77 | HPGD (0.50) | ALDH1A1TSHRMAPTKDM4EHPGD | |
| SCHEMBL28877382 | 0.75 | CA12 (0.42) | ALDH1A1TSHRMAPTKDM4EHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4448730-A | ANTITUMOR AGENTS | RIET BARTHOLOMEUS VAN T | 1984-05-15 | — | — | US | disclosed |
| US-4394389-A | ANTITUMOR AGENTS | RIET BARTHOLOMEUS VAN T | 1983-07-19 | — | — | US | disclosed |
| US-4263322-A | RIBONUCLEOTIDE REDUCTASE INHIBITORS | RIET BARTHOLOMEUS VAN T | 1981-04-21 | — | — | US | disclosed |