Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | UNG | P13051 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8847288 | 1.00 | ALDH1A1 (0.45) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL4613992 | 0.88 | ALDH1A1 (0.52) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL30589393 | 0.88 | ALDH1A1 (0.52) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL1680387 | 0.81 | ALDH1A1 (0.45) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL436351 | 0.76 | ALDH1A1 (0.48) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL436346 | 0.76 | ALDH1A1 (0.48) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL130917 | 0.76 | PTPN1 (0.71) | ALDH1A1PTPN1PTPN2PTPN6PTGS2 | |
| SCHEMBL29354644 | 0.76 | PTPN1 (0.71) | ALDH1A1PTPN1PTPN2PTPN6PTGS2 | |
| SCHEMBL1124850 | 0.76 | PTPN1 (0.65) | ALDH1A1UNGPTPN1PTPN2PTPN6 | |
| SCHEMBL30014296 | 0.76 | ALDH1A1 (0.48) | ALDH1A1UNGPTPN1PTPN2PTPN6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5599974-A | ALDEHYDE AND ACID CONTAINING COMPOUNDS BOND WITH VALINE, ARGININE, AND LYSINE OF HEMOGLOBIN MOLECULE TO MODIFY MOLECULE | CENTER FOR INNOVATIVE TECHNOLOGY (US) | 1997-02-04 | — | — | US | disclosed |