Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | PDE6D | O43924 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | CASP1 | P29466 | 4/20 | 0.33 |
| ▸ | CASP7 | P55210 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 4/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4650542 | 0.77 | HTR2C (0.37) | HTR2CHTR2BCYP2D6SLC6A4SLC6A2 | |
| SCHEMBL4650992 | 0.71 | HTR2C (0.35) | HTR2CHTR2BCYP2D6SLC6A4SLC6A2 | |
| SCHEMBL1779189 | 0.71 | OGA (0.38) | ALDH1A1HSD17B10KMT2ATSHRKIT | |
| SCHEMBL14495610 | 0.64 | CCR2 (0.45) | SLC6A4SLC6A2SLC6A3CASP1MEN1 | |
| SCHEMBL1779188 | 0.64 | CCR2 (0.45) | SLC6A4SLC6A2SLC6A3CASP1MEN1 | |
| SCHEMBL1779190 | 0.61 | OGA (0.40) | MEN1KMT2A | |
| SCHEMBL23199603 | 0.60 | HTR3A (0.51) | ALDH1A1TSHRMAPK1SMN1; SMN2CLK4 | |
| SCHEMBL30718597 | 0.60 | HTR3A (0.51) | ALDH1A1TSHRMAPK1SMN1; SMN2CLK4 | |
| SCHEMBL26775614 | 0.60 | HTR3A (0.51) | ALDH1A1TSHRMAPK1SMN1; SMN2CLK4 | |
| SCHEMBL1778793 | 0.60 | KDM4E (0.41) | CYP1A2CYP3A4HTR2CSLC6A4ALDH1A1 |
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-1966187-A1 | PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES | AstraZeneca AB (SE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071952-A1 | PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |