Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | XDH | P47989 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL5366124 | 0.94 | ATM (0.43) | ATMCA12CA1CA2CA7 | |
| SCHEMBL29525097 | 0.88 | ATM (0.67) | ATMCA12CA1CA2CA7 | |
| SCHEMBL342817 | 0.88 | ATM (0.67) | ATMCA12CA1CA2CA7 | |
| SCHEMBL17747120 | 0.77 | CA1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL56951 | 0.77 | ATM (0.77) | ATMCA12CA1CA2CA7 | |
| SCHEMBL6258045 | 0.77 | CYP2C19 (0.60) | ATMCA12CA1CA2CA9 | |
| SCHEMBL29521617 | 0.77 | CYP2C19 (0.60) | ATMCA12CA1CA2CA9 | |
| SCHEMBL16881124 | 0.76 | ATM (0.46) | ATMCA12CA1CA2CA9 | |
| SCHEMBL7822474 | 0.76 | ATM (0.51) | ATMCYP2A6ALDH1A1KDM4ECYP11B1 | |
| SCHEMBL31145167 | 0.76 | ATM (0.51) | ATMCYP2A6ALDH1A1KDM4ECYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005023762-A1 | PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2005-03-17 | — | — | WO | disclosed |