Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11965518 | 0.84 | FLT3 (0.46) | PTGS2PTGS1CYP19A1CA2CA1 | |
| SCHEMBL12377290 | 0.82 | CYP19A1 (0.62) | PTGS2PTGS1CYP19A1CA2CA1 | |
| SCHEMBL12377326 | 0.82 | PTGS2 (0.46) | PTGS2PTGS1CYP19A1CA2GAA | |
| SCHEMBL9963176 | 0.81 | CYP19A1 (0.66) | PTGS2PTGS1CYP19A1CA2CA1 | |
| SCHEMBL12377265 | 0.81 | PTGS2 (0.49) | PTGS2CYP19A1MGAMGAASI | |
| SCHEMBL22050888 | 0.80 | CHRNB2 (0.46) | CYP19A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL16406113 | 0.79 | CYP19A1 (0.42) | CYP19A1CA2CA1CA5ACA5B | |
| SCHEMBL21286180 | 0.79 | CYP19A1 (0.42) | CYP19A1RAB9A | |
| SCHEMBL19449444 | 0.79 | MEN1 (0.51) | PTGS2PTGS1CA2CA1CA5A | |
| SCHEMBL23381117 | 0.79 | CYP19A1 (0.43) | CYP19A1CA2CA9LRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222767-A1 | CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS | GLYCOMIMETICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| US-5081136-A | 1,2,3-TRIAZOLE COMPOUNDS ACTIVE AS INHIBITORS OF THE ENZYME HMG-COA REDUCTASE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ZAMBON GROUP S.P.A. (IT) | 1992-01-14 | — | — | US | disclosed |
| EP-0433842-A2 | 1,2,3-Triazole derivatives active as inhibitors of the enzyme HMG-COA reductase and pharmaceutical compositions containing them | ZAMBON GROUP S.p.A. (IT) | 1991-06-26 | — | — | EP | disclosed |