Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.43 |
| ▸ | DTYMK | P23919 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 3/20 | 0.41 |
| ▸ | NAMPT | P43490 | 4/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | GCK | P35557 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3662831 | 0.91 | POLB (0.48) | POLBOPRD1OPRK1GPR119DTYMK | |
| SCHEMBL4054184 | 0.84 | OPRL1 (0.36) | POLBOPRD1CCR5 | |
| SCHEMBL2899666 | 0.83 | POLB (0.47) | POLBOPRD1OPRK1GPR119DTYMK | |
| SCHEMBL3249336 | 0.82 | POLB (0.52) | POLBOPRD1OPRK1GPR119DTYMK | |
| SCHEMBL5479635 | 0.81 | POLB (0.51) | POLBOPRD1OPRK1GPR119DTYMK | |
| SCHEMBL3557560 | 0.79 | POLB (0.47) | POLBOPRD1OPRK1GPR119DTYMK | |
| SCHEMBL16041662 | 0.78 | GPR119 (0.47) | OPRD1OPRK1GPR119TACR1CCR5 | |
| SCHEMBL22495695 | 0.78 | POLB (0.47) | POLBOPRD1OPRK1GPR119DTYMK | |
| SCHEMBL3555626 | 0.78 | POLB (0.48) | POLBOPRD1OPRK1GPR119DTYMK | |
| SCHEMBL22792894 | 0.78 | POLB (0.48) | POLBOPRD1OPRK1GPR119DTYMK |
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-1729772-A4 | HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO INC (US) | 2009-05-27 | — | — | EP | disclosed |
| EP-1729772-A2 | HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | Merck and Co., Inc. (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005094514-A2 | HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS | MERCK & CO., INC. (US) | 2005-10-13 | — | — | WO | disclosed |