Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CCNC | P24863 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | CNKSR1 | Q969H4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7518420 | 1.00 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3103837 | 0.81 | MAOB (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3103840 | 0.81 | MAOB (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10783189 | 0.77 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11054639 | 0.76 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14276451 | 0.75 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1897277 | 0.73 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1897276 | 0.73 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7109644 | 0.73 | CA1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21792208 | 0.73 | CA12 (0.50) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5919814-A | Heterocyclic compounds | ADIR ET COMPAGNIE (FR) | 1999-07-06 | — | — | US | disclosed |