Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | GLB1 | P16278 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6890870 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL6886894 | 0.87 | ALDH1A1 (0.49) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL10819414 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL19588714 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL2614786 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL2623390 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL1130657 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL6894635 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL6895477 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CA2CA1CA9HPGD | |
| SCHEMBL6893633 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CA2CA1CA9POLB |
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-6693178-B2 | HALOGENATED BENZYL ETHER GALACTOPYRANOSIDE, GLUCOPYRANOSIDE, RIBOFURANOSIDE OR XYLOFURANOSIDE DERIVATIVES; STABLE, EASILY REMOVED | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2004-02-17 | — | — | US | claimed |
| US-6693178-B2 | HALOGENATED BENZYL ETHER GALACTOPYRANOSIDE, GLUCOPYRANOSIDE, RIBOFURANOSIDE OR XYLOFURANOSIDE DERIVATIVES; STABLE, EASILY REMOVED | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2004-02-17 | — | — | US | disclosed |
| US-6426421-B1 | HALOGENATED BENZYL ETHER-BASED PROTECTING GROUPS FOR FUNCTIONAL GROUPS, OF ALCOHOLS, THIOLS, AMINES, CARBOXYLIC ACIDS, AND PHOSPHORIC ACIDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2002-07-30 | — | — | US | disclosed |