Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 7/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 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 | |
|---|---|---|---|---|
| SCHEMBL1021709 | 0.87 | ACKR3 (0.46) | ACKR3HIF1AEPAS1SIGMAR1STAT3 | |
| SCHEMBL3690780 | 0.82 | KDM4E (0.47) | ACKR3KDM4EALDH1A1HTTTSHR | |
| SCHEMBL3767309 | 0.80 | KDM4E (0.46) | ACKR3KDM4EALDH1A1HTTTSHR | |
| SCHEMBL12954997 | 0.78 | PRKAA2 (0.52) | ACKR3MGLLTSHRSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL1020788 | 0.78 | PRKAA2 (0.51) | ACKR3MGLLTSHRSMN1; SMN2 | |
| SCHEMBL3693257 | 0.77 | KDM4E (0.47) | KDM4EALDH1A1HTTTSHRSMN1; SMN2 | |
| SCHEMBL3647459 | 0.77 | KDM4E (0.43) | ACKR3KDM4EALDH1A1HTTTSHR | |
| Trifluoroacetic Acid SCHEMBL1019957 | 0.74 | PRKAA2 (0.46) | ACKR3MGLL | |
| SCHEMBL12955050 | 0.74 | PRKAA2 (0.47) | ACKR3MGLLTSHRSMN1; SMN2 | |
| SCHEMBL1019852 | 0.73 | ALDH1A1 (0.52) | ACKR3KDM4EALDH1A1HTTTSHR |
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-2190827-A1 | N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS | N.V. Organon (NL) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009024550-A1 | N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS | N.V. ORGANON (NL) | 2009-02-26 | — | — | WO | disclosed |