Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.42 |
| ▸ | CA2 | P00918 | 7/20 | 0.42 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA5A | P35218 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6121437 | 0.90 | CA1 (0.45) | CA1CA2CA9CA12CA14 | |
| SCHEMBL3837666 | 0.89 | CA1 (0.41) | CA1CA2CA9CA12CA14 | |
| SCHEMBL2170005 | 0.83 | CA2 (0.42) | CA1CA2CA9CA12CA14 | |
| SCHEMBL27628636 | 0.81 | CA2 (0.42) | CA1CA2CA9CA12CA14 | |
| SCHEMBL5250861 | 0.80 | TP53 (0.50) | — | |
| SCHEMBL4010784 | 0.80 | CA2 (0.55) | CA1CA2CA9CA12CA14 | |
| SCHEMBL30988956 | 0.79 | CA2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL407413 | 0.79 | CA2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL6419020 | 0.79 | CA1 (0.47) | CA1CA2CA9CA12CA14 | |
| SCHEMBL28142430 | 0.79 | CA1 (0.44) | CA1CA2CA9CA12CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097385-A1 | 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | Merck & Co., Inc. (US) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008051532-A1 | 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |