Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | UGT2B7 | P16662 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8170891 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP3A4ALOX15TSHRGAA | |
| SCHEMBL13341771 | 0.77 | ALDH1A1 (0.33) | ALDH1A1ALOX15TSHRGAAMGAM | |
| SCHEMBL13342009 | 0.77 | ALDH1A1 (0.33) | ALDH1A1ALOX15TSHRGAAMGAM | |
| SCHEMBL12238359 | 0.76 | MGAM (0.39) | ALDH1A1CYP3A4ALOX15TSHRGAA | |
| SCHEMBL1258369 | 0.75 | GAA (0.55) | ALDH1A1CYP3A4ALOX15TSHRGAA | |
| SCHEMBL903262 | 0.74 | MGAM (0.44) | ALDH1A1ALOX15TSHRGAAMGAM | |
| SCHEMBL10207392 | 0.74 | MGAM (0.40) | ALDH1A1CYP3A4ALOX15TSHRGAA | |
| SCHEMBL12062469 | 0.74 | CYP3A4 (0.37) | ALDH1A1CYP3A4ALOX15GAAMGAM | |
| SCHEMBL9743315 | 0.72 | MGAM (0.50) | ALDH1A1CYP3A4ALOX15TSHRGAA | |
| SCHEMBL3853840 | 0.72 | MGAM (0.50) | ALDH1A1CYP3A4ALOX15TSHRGAA |
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-2008108834-A2 | INHIBITORS OF THE MEVALONATE PATHWAY OF STREPTOCOCCUS PNEUMONIAE | NORTHWESTERN UNIVERSITY (US) | 2008-09-12 | — | — | WO | disclosed |