Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.32 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2244743 | 0.83 | ATM (0.32) | — | |
| SCHEMBL13923527 | 0.80 | ALDH1A1 (0.41) | PDK1PDK2PDK3PDK4SIGMAR1 | |
| SCHEMBL16072920 | 0.80 | ALDH1A1 (0.41) | PDK1PDK2PDK3PDK4SIGMAR1 | |
| SCHEMBL12565640 | 0.80 | ALDH1A1 (0.41) | PDK1PDK2PDK3PDK4SIGMAR1 | |
| SCHEMBL5643007 | 0.77 | HPSE (0.34) | PGRHPSE | |
| SCHEMBL5644308 | 0.76 | EPHX1 (0.45) | — | |
| SCHEMBL16072937 | 0.76 | ALDH1A1 (0.46) | PDK1PDK2PDK3PDK4SIGMAR1 | |
| SCHEMBL3661361 | 0.70 | ATM (0.32) | — | |
| SCHEMBL2242376 | 0.70 | ATM (0.32) | — | |
| SCHEMBL12871287 | 0.70 | TRPV1 (0.38) | PGRHPSEPDK1PDK2PDK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1589969-A4 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| EP-1589969-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co. Inc. (US) | 2005-11-02 | — | — | EP | 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 |