Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SI | P14410 | 2/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27965583 | 0.89 | PTGS2 (0.46) | MGAMGAASIMGAM2PTGS2 | |
| SCHEMBL10824841 | 0.89 | PTGS2 (0.43) | MGAMGAASIMGAM2PTGS2 | |
| SCHEMBL2701579 | 0.81 | GAA (0.60) | MGAMGAASIMGAM2 | |
| SCHEMBL4418157 | 0.79 | ADRA2A (0.41) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL15507450 | 0.79 | ALDH1A1 (0.46) | GAAPTGS2PTGS1 | |
| Water SCHEMBL2703341 | 0.79 | GAA (0.57) | MGAMGAASIMGAM2 | |
| SCHEMBL10981731 | 0.78 | MGAM (0.43) | MGAMGAASIMGAM2 | |
| SCHEMBL23036023 | 0.76 | CA12 (0.43) | MGAMGAASIMGAM2PTGS2 | |
| SCHEMBL2803122 | 0.75 | CA12 (0.35) | GAAPTGS2PTGS1CA12CA1 | |
| SCHEMBL18242951 | 0.74 | ALDH1A1 (0.39) | PTGS2PTGS1CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4621082-A | Pyridopyrimidines, pharmaceutical compositions and use | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-04 | — | — | US | disclosed |
| US-4565824-A | Certain nitratoalkyl ester dihydropyridines having antihypertensive properties | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | disclosed |