Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK7 | P50613 | 1/20 | 0.35 |
| ▸ | CCNH | P51946 | 1/20 | 0.35 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL7209171 | 1.00 | CDK1 (0.35) | CDK1CCNE1CDK2CDK7CCNH | |
| SCHEMBL7214886 | 0.92 | PPARG (0.43) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL7209167 | 0.92 | PPARG (0.43) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL8195162 | 0.75 | MAOB (0.44) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL8195227 | 0.75 | MAOB (0.44) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL8487882 | 0.74 | GRIN2D (0.37) | GRIN2DGRIN3BADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL8482025 | 0.73 | GRIN2D (0.36) | GRIN2DGRIN3BADRA1DADRA1AADRA1B | |
| SCHEMBL6376835 | 0.73 | CDK7 (0.41) | CDK1CCNE1CDK2CDK7CCNH | |
| SCHEMBL7208859 | 0.73 | CDK7 (0.41) | CDK1CCNE1CDK2CDK7CCNH | |
| SCHEMBL6382124 | 0.73 | CDK7 (0.41) | CDK1CCNE1CDK2CDK7CCNH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1278730-A2 | 4-BENZYL-1- 2-(4-HYDROXY-PHENOXY)-ETHYL]-PIPERIDINE-3,4-DIOL | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-29 | — | — | EP | claimed |
| WO-2001081309-A2 | 4-BENZYL-1-[2-(4-HYDROXY-PHENOXY)-ETHYL]-PIPERIDINE-3,4-DIOL | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-01 | — | — | WO | claimed |
| EP-1278730-A2 | 4-BENZYL-1- 2-(4-HYDROXY-PHENOXY)-ETHYL]-PIPERIDINE-3,4-DIOL | F. HOFFMANN-LA ROCHE AG (CH) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001081309-A2 | 4-BENZYL-1-[2-(4-HYDROXY-PHENOXY)-ETHYL]-PIPERIDINE-3,4-DIOL | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-01 | — | — | WO | disclosed |