Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MMEL1 | Q495T6 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PPIA | P62937 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL30753564 | 0.88 | DPP4 (0.44) | DPP4DPP7DPP9PIN1CYP3A4 | |
| SCHEMBL743824 | 0.88 | DPP4 (0.44) | DPP4DPP7DPP9PIN1CYP3A4 | |
| SCHEMBL30378432 | 0.88 | DPP4 (0.44) | DPP4DPP7DPP9PIN1CYP3A4 | |
| SCHEMBL897883 | 0.88 | DPP4 (0.44) | DPP4DPP7DPP9PIN1CYP3A4 | |
| SCHEMBL10054519 | 0.84 | CTRB1 (0.51) | CASP3MMEKCNA5 | |
| Tert-Butylamine SCHEMBL898670 | 0.83 | DPP4 (0.43) | DPP4DPP7DPP9PIN1CYP3A4 | |
| SCHEMBL8302595 | 0.80 | DPP4 (0.38) | DPP4DPP7MMEL1 | |
| SCHEMBL6690036 | 0.78 | CYP3A4 (0.41) | DPP4DPP7DPP9SIGMAR1MAPT | |
| SCHEMBL13084120 | 0.78 | DPP4 (0.42) | DPP4DPP7DPP9CYP3A4NPC1 | |
| SCHEMBL14687291 | 0.75 | ALDH1A1 (0.43) | DPP4DPP7DPP9SIGMAR1CYP3A4 |
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-2004087650-A2 | PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BETA-AMINO ACID AMIDE DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK & CO. INC. (US) | 2004-10-14 | — | — | WO | disclosed |