Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | CTSG | P08311 | 2/20 | 0.34 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.34 |
| ▸ | CMA1 | P23946 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 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 | |
|---|---|---|---|---|
| SCHEMBL4784364 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP1A2PRSS1CTSGCTRB1 | |
| SCHEMBL30424924 | 0.88 | CYP3A4 (0.33) | CYP3A4SMN1; SMN2MAPTHTTRIPK1 | |
| SCHEMBL30424461 | 0.88 | CYP3A4 (0.33) | CYP3A4SMN1; SMN2MAPTHTTRIPK1 | |
| SCHEMBL3754571 | 0.87 | MAPT (0.38) | ALDH1A1CYP3A4SMN1; SMN2MAPTHTT | |
| SCHEMBL1926988 | 0.84 | KMT2A (0.41) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1927300 | 0.84 | KMT2A (0.41) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1487233 | 0.84 | KMT2A (0.41) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1487107 | 0.84 | PPID (0.39) | ALDH1A1CYP3A4MAPTPIN1CYP2D6 | |
| SCHEMBL10757035 | 0.84 | PIN1 (0.45) | ALDH1A1CYP1A2CYP3A4SMN1; SMN2MAPT | |
| SCHEMBL25591718 | 0.84 | PIN1 (0.45) | ALDH1A1CYP1A2CYP3A4SMN1; SMN2MAPT |
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-2008068614-A2 | STEREOSELECTIVE SYNTHESIS OF 1-[6-ETHYL-1,2-DIHYDROXY-PROPYL)-PYRIDIN-3-YL]-3-[2-(4-METHYL-PIPERAZIN-1-YL)-BENZYL]-PYRROLIDIN-2-ONE | PFIZER PRODUCTS INC. (US) | 2008-06-12 | — | — | WO | claimed |