Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA9 | Q16790 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL16653943 | 0.88 | PTGS1 (0.46) | CA12CA1CA2CA9CA7 | |
| SCHEMBL1355428 | 0.88 | PTGS1 (0.46) | CA12CA1CA2CA9CA7 | |
| SCHEMBL17756315 | 0.81 | TPMT (0.57) | HCAR1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL2319081 | 0.81 | CA12 (0.61) | CA12CA1CA2CA9CA7 | |
| SCHEMBL2723874 | 0.80 | TPMT (0.41) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL25403702 | 0.80 | GRIN2D (0.56) | CA12CA1CA2CA9CA7 | |
| SCHEMBL4968027 | 0.80 | GABRA1 (0.48) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL6442439 | 0.80 | GABRA1 (0.48) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL27811020 | 0.79 | CA12 (0.50) | CA12CA1CA2CA9CA7 | |
| SCHEMBL10952902 | 0.79 | CA12 (0.60) | CA12CA1CA2CA9CA7 |
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-2185570-B1 | NOVEL ACTIVATORS OF GLUCOKINASE | METABASIS THERAPEUTICS INC (US) | 2014-03-19 | — | — | EP | disclosed |