Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5121302 | 0.78 | CA1 (0.66) | SIGMAR1CA1CA2CA4CA7 | |
| Hydrochloric Acid SCHEMBL1697524 | 0.77 | CA1 (0.64) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL12079396 | 0.76 | KDM4E (0.45) | HIF1ALMNAKDM4ECYP1A2POLB | |
| SCHEMBL30472772 | 0.72 | KDM4E (0.41) | HIF1ALMNAKDM4ECYP1A2POLB | |
| SCHEMBL30472773 | 0.72 | KDM4E (0.41) | HIF1ALMNAKDM4ECYP1A2POLB | |
| SCHEMBL10815250 | 0.71 | CA1 (0.61) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL25854767 | 0.70 | SIGMAR1 (0.51) | SIGMAR1CA1CA2CA4CA7 | |
| SCHEMBL11187690 | 0.70 | KDM4E (0.38) | HIF1ALMNAKDM4ECYP1A2POLB | |
| SCHEMBL11187693 | 0.70 | KDM4E (0.38) | HIF1ALMNAKDM4ECYP1A2POLB | |
| SCHEMBL725564 | 0.69 | SIGMAR1 (1.00) | SIGMAR1CA1CA2CA4CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1507785-B1 | TRANSITION METAL COMPLEXES WITH (PYRIDYL)IMIDAZOLE LIGANDS | ABBOTT DIABETES CARE INC (US) | 2011-08-17 | — | — | EP | disclosed |