Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 10/20 | 0.34 |
| ▸ | CA1 | P00915 | 10/20 | 0.34 |
| ▸ | CA2 | P00918 | 10/20 | 0.34 |
| ▸ | CA9 | Q16790 | 10/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16156440 | 0.94 | CYP3A4 (0.35) | CYP3A4MAPTCYP2C9CYP2C19LMNA | |
| SCHEMBL15028542 | 0.92 | CYP3A4 (0.43) | CYP3A4MAPTCYP2C9CYP2C19LMNA | |
| SCHEMBL15028640 | 0.90 | CYP3A4 (0.38) | CYP3A4MAPTCYP2C9CYP2C19LMNA | |
| SCHEMBL16153925 | 0.80 | LMNA (0.45) | CYP3A4MAPTCYP2C9CYP2C19LMNA | |
| SCHEMBL15028500 | 0.80 | LMNA (0.45) | CYP3A4MAPTCYP2C9CYP2C19LMNA | |
| SCHEMBL15028490 | 0.78 | ALDH1A1 (0.37) | CYP3A4MAPTCYP2C9CYP2C19LMNA | |
| SCHEMBL2804057 | 0.74 | — | — | |
| SCHEMBL15028629 | 0.73 | MAPK1 (0.55) | THRBALDH1A1KMT2A | |
| SCHEMBL15028637 | 0.73 | MAPK1 (0.57) | CYP3A4MAPTCYP2C9CYP2C19LMNA | |
| SCHEMBL15508135 | 0.72 | CYP3A4 (0.60) | CYP3A4MAPTCYP2C9CYP2C19LMNA |
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-2013083136-A1 | PREPARATION AND USE OF ISOLACTOSAMINE AND INTERMEDIATES THEREFOR | GLYCOM A/S (DK) | 2013-06-13 | — | — | WO | disclosed |