Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.45 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.45 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.43 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.43 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9567 | 0.78 | CA2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL424151 | 0.78 | CA2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL2910471 | 0.78 | CA2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL13996614 | 0.77 | CA2 (0.45) | CA2CA12CA1CA9CHKA | |
| SCHEMBL27357744 | 0.77 | — | — | |
| SCHEMBL5912624 | 0.76 | CA2 (0.48) | CA2CA12CA1CA9CHKA | |
| SCHEMBL8239757 | 0.76 | CA2 (0.48) | CA2CA12CA1CA9CHKA | |
| SCHEMBL894533 | 0.76 | CHRNB2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL3654737 | 0.76 | CA2 (0.48) | CA2CA12CA1CA9CHKA | |
| SCHEMBL5423307 | 0.76 | CA2 (0.48) | CA2CA12CA1CA9CHKA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2254880-B1 | Macrocyclic prodrug compounds useful as therapeutics | NEXGENIX PHARMACEUTICALS (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2009105755-A2 | MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS | NEXGENIX PHARMACEUTICALS (US) | 2009-08-27 | — | — | WO | disclosed |
| WO-2008021213-A1 | MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 | WINSSINGER NICOLAS (FR) | 2008-02-21 | — | — | WO | disclosed |