Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.44 |
| ▸ | CA1 | P00915 | 10/20 | 0.44 |
| ▸ | CA9 | Q16790 | 9/20 | 0.44 |
| ▸ | CA12 | O43570 | 6/20 | 0.44 |
| ▸ | CA7 | P43166 | 4/20 | 0.44 |
| ▸ | CA6 | P23280 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 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 | |
|---|---|---|---|---|
| SCHEMBL3811042 | 0.93 | CA1 (0.42) | CA2CA1CA9CA12CA7 | |
| SCHEMBL31297331 | 0.86 | SLC6A4 (0.37) | CA2CA1CA9CA12CA7 | |
| SCHEMBL6019444 | 0.84 | CA1 (0.41) | CA2CA1CA9CA12CA7 | |
| SCHEMBL8078639 | 0.81 | MYC (0.40) | CYP2C9CTSB | |
| SCHEMBL6019475 | 0.80 | EED (0.50) | — | |
| SCHEMBL30482160 | 0.78 | KMT2A (0.42) | CA2CA1CA9CA12CA7 | |
| SCHEMBL29704143 | 0.76 | PTGES2 (0.39) | CA2CA1CA9CA12PTGES2 | |
| SCHEMBL4077664 | 0.76 | PKM (0.49) | CYP2C9CTSBPTGES2 | |
| SCHEMBL8349565 | 0.76 | CA2 (0.54) | CA2CA1CA9CA12CA7 | |
| Hydrochloric Acid SCHEMBL4740172 | 0.75 | HTR6 (0.53) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976340-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-01-27 | — | — | EP | claimed |
| WO-2014146490-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | claimed |
| EP-2976340-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-01-27 | — | — | EP | disclosed |
| WO-2014146490-A1 | CYCLOALKYL NITRILE PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014035872-A1 | TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN | AMGEN INC. (US) | 2014-03-06 | — | — | WO | disclosed |
| EP-2488630-A1 | INDUCTION OF PLURIPOTENT CELLS | The Scripps Research Institute (US) | 2012-08-22 | — | — | EP | disclosed |
| EP-2370445-A1 | STEM CELL CULTURES | The Scripps Research Institute (US) | 2011-10-05 | — | — | EP | disclosed |