Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 6/20 | 0.43 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | VEGFA | P15692 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17152951 | 0.91 | GPR183 (0.43) | ALDH1A1KDM4EHTTPPARGPPARA | |
| SCHEMBL17152798 | 0.86 | DRD4 (0.43) | ALDH1A1KDM4EDRD4DRD2VEGFA | |
| SCHEMBL17152950 | 0.85 | DRD2 (0.43) | ALDH1A1KDM4EDRD4DRD2HTT | |
| SCHEMBL18412525 | 0.85 | GPR183 (0.40) | ALDH1A1KDM4EDRD4DRD2HTT | |
| SCHEMBL18412521 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KDM4EDRD4DRD2L3MBTL1 | |
| SCHEMBL17152958 | 0.82 | DRD2 (0.39) | ALDH1A1DRD4DRD2VEGFAEGLN1 | |
| SCHEMBL18412519 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1HTTLMNA | |
| SCHEMBL17152968 | 0.80 | ACKR3 (0.38) | ALDH1A1KDM4EDRD4DRD2GPR183 | |
| SCHEMBL10063608 | 0.79 | ALDH1A1 (0.57) | ALDH1A1LMNA | |
| SCHEMBL17153221 | 0.77 | GPR183 (0.49) | ALDH1A1KDM4EDRD4DRD2VEGFA |
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-2015150555-A1 | MACROCYLIC PYRIMIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-08 | — | — | WO | disclosed |