Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL71032 | 0.84 | BCAT2 (0.44) | ALDH1A1SMN1; SMN2GAAKMT2ABCAT2 | |
| SCHEMBL8450545 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2GAAKMT2APTGES2 | |
| SCHEMBL29368735 | 0.80 | — | — | |
| SCHEMBL337809 | 0.80 | — | — | |
| Benzene SCHEMBL27706747 | 0.78 | HPGD (0.45) | ALDH1A1SMN1; SMN2GAAKMT2ALMNA | |
| SCHEMBL27464591 | 0.78 | ALOX15 (0.45) | ALDH1A1SMN1; SMN2GAAKMT2ALMNA | |
| Trifluoromethanesulfonic Acid SCHEMBL10707606 | 0.76 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2GAAKMT2ALMNA | |
| Naphthalene SCHEMBL27589342 | 0.74 | MAPK1 (0.42) | ALDH1A1SMN1; SMN2GAAKMT2ALMNA | |
| SCHEMBL7596666 | 0.71 | HSD11B1 (0.42) | ALDH1A1SMN1; SMN2GAAKMT2AL3MBTL1 | |
| SCHEMBL2226182 | 0.71 | CA2 (0.56) | ALDH1A1SMN1; SMN2PTGES2CDK2CA12 |
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 |