Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1194353 | 0.91 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL8917503 | 0.89 | ALDH1A1 (0.54) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL460011 | 0.87 | MGAM (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL12877143 | 0.83 | GAA (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL23071556 | 0.83 | HCAR2 (0.38) | ALDH1A1LMNATSHRTDP1CHRM1 | |
| SCHEMBL17053359 | 0.83 | MGAM (0.43) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL14485615 | 0.82 | MGAM (0.41) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL27703510 | 0.80 | MGAM (0.45) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL3326034 | 0.80 | MGAM (0.40) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL430204 | 0.79 | MGAM (0.52) | GAAMGAMSIMGAM2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189511-A | Inhibitors of human immunodeficiency virus replication | BRISTOL MYERS SQUIBB CO | 2015-12-23 | — | — | CN | disclosed |
| CN-105189510-A | Inhibitors of human immunodeficiency virus replication | BRISTOL MYERS SQUIBB CO | 2015-12-23 | — | — | CN | disclosed |
| CN-105008369-A | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL MYERS SQUIBB CO | 2015-10-28 | — | — | CN | disclosed |