Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPM1B | O75688 | 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 | |
|---|---|---|---|---|
| SCHEMBL20855815 | 0.82 | CYP1A2 (0.42) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL13692717 | 0.82 | MGAM (0.44) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL15369661 | 0.82 | MGAM (0.44) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL15423597 | 0.82 | MGAM (0.44) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL14599334 | 0.80 | EPHX2 (0.43) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL13913069 | 0.80 | MGAM (0.43) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL851434 | 0.80 | GAA (0.43) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL11043011 | 0.80 | MGAM (0.43) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL19728295 | 0.80 | GAA (0.43) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL22526606 | 0.79 | BRD4 (0.44) | MGAMGAASIMGAM2EPHX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011130628-A1 | TREATMENT OF CANCERS HAVING K-RAS MUTATIONS | CURIS, INC. (US) | 2011-10-20 | — | — | WO | disclosed |
| WO-2010080996-A1 | PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY | CURIS, INC. (US) | 2010-07-15 | — | — | WO | disclosed |