Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 6/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9226581 | 0.89 | ALDH1A3 (0.38) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TAAR1 | |
| SCHEMBL7125837 | 0.86 | CYP2A6 (0.44) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TSHR | |
| SCHEMBL16501313 | 0.85 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TSHR | |
| SCHEMBL7117400 | 0.84 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TSHR | |
| SCHEMBL14477876 | 0.82 | ALDH1A1 (0.41) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TSHR | |
| SCHEMBL20183933 | 0.81 | ALDH1A3 (0.42) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TSHR | |
| SCHEMBL24071971 | 0.81 | TP53 (0.39) | ALDH1A1TAAR1TDP1MAPT | |
| SCHEMBL4765870 | 0.79 | ALDH1A1 (0.50) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TSHR | |
| SCHEMBL3429484 | 0.79 | KDM4E (0.53) | ALDH1A1ALDH1A3ALDH3A1KDM4EPTGS2 | |
| SCHEMBL23469116 | 0.79 | ALDH1A1 (0.39) | ALDH1A1ALDH1A3ALDH3A1CYP2A6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0945452-B1 | SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS | NEW JAPAN CHEM CO LTD (JP) | 2003-11-19 | — | — | EP | disclosed |
| US-6187842-B1 | REACTING SORBITOL OR XYLITOL WITH BENZALDEHYE IN PRESENCE OF ACID CATALYST | NEW JAPAN CHEMICAL CO., LTD. (JP) | 2001-02-13 | — | — | US | disclosed |
| EP-0945452-A1 | SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS | NEW JAPAN CHEMICAL CO.,LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |