Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 4/20 | 0.51 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.40 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.40 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4760446 | 0.83 | PNMT (0.52) | PNMTTPSAB1TPSD1TPSG1ITGB3 | |
| SCHEMBL4760447 | 0.83 | PNMT (0.52) | PNMTTPSAB1TPSD1TPSG1ITGB3 | |
| SCHEMBL5648139 | 0.82 | PNMT (0.46) | PNMTTPSAB1TPSD1TPSG1ITGB3 | |
| Trifluoroacetic Acid SCHEMBL5648133 | 0.77 | PNMT (0.46) | PNMTTPSAB1TPSD1TPSG1ITGB3 | |
| Trifluoroacetic Acid SCHEMBL5648145 | 0.77 | PNMT (0.46) | PNMTTPSAB1TPSD1TPSG1ITGB3 | |
| SCHEMBL2559315 | 0.74 | PNMT (0.56) | PNMTTPSAB1TPSD1TPSG1ITGB3 | |
| SCHEMBL977061 | 0.73 | PNMT (0.70) | PNMTTPSAB1TPSD1TPSG1ITGB3 | |
| SCHEMBL3175428 | 0.73 | TTR (0.52) | PNMTTTRAPPCA12CA1 | |
| SCHEMBL3175417 | 0.73 | TTR (0.52) | PNMTTTRAPPCA12CA1 | |
| Hydrochloric Acid SCHEMBL6421343 | 0.72 | PNMT (0.68) | PNMTTPSAB1TPSD1TPSG1ITGB3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7265128-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2007-09-04 | — | — | US | disclosed |
| US-7265128-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2007-09-04 | — | — | US | disclosed |
| WO-2004064778-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO. INC. (US) | 2004-08-05 | — | — | WO | disclosed |