Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3786485 | 1.00 | ALDH1A1 (0.32) | ALDH1A1MAPK1CYP2C19KCNN4HIF1A | |
| SCHEMBL3786566 | 0.82 | TP53 (0.36) | ALDH1A1MAPK1MAPTNPSR1KDM4E | |
| SCHEMBL3786557 | 0.82 | CYP2C19 (0.47) | ALDH1A1CYP2C19KCNN4HIF1AHDAC3 | |
| SCHEMBL3751443 | 0.72 | CYP2C19 (0.35) | ALDH1A1MAPK1CYP2C19KCNN4HDAC3 | |
| SCHEMBL8784381 | 0.70 | KCNN4 (0.40) | ALDH1A1MAPK1CYP2C19KCNN4HIF1A | |
| SCHEMBL11648782 | 0.69 | CYP2C19 (0.46) | ALDH1A1MAPK1CYP2C19HIF1AHDAC3 | |
| SCHEMBL1125158 | 0.68 | TAAR1 (0.52) | ALDH1A1MAPK1CYP2C19KCNN4HIF1A | |
| SCHEMBL9340359 | 0.68 | CYP2C19 (0.42) | ALDH1A1MAPK1CYP2C19KCNN4HIF1A | |
| SCHEMBL9852913 | 0.68 | HDAC3 (0.41) | ALDH1A1MAPK1CYP2C19KCNN4HIF1A | |
| SCHEMBL1911380 | 0.68 | HDAC3 (0.41) | ALDH1A1MAPK1CYP2C19KCNN4HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572650-A1 | NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 | AstraZeneca AB (SE) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004056773-A1 | NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 | ASTRAZENECA AB (SE) | 2004-07-08 | — | — | WO | disclosed |