Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | DRD2 | P14416 | 9/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | HTR2A | P28223 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 4/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.62 |
| ▸ | HTR1A | P08908 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL5655837 | 0.85 | DRD2 (0.63) | KDM4EALDH1A1TDP1DRD2MEN1 | |
| SCHEMBL8877355 | 0.83 | ALDH1A1 (0.59) | KDM4EALDH1A1TDP1DRD2MEN1 | |
| SCHEMBL1388298 | 0.83 | DRD2 (0.58) | KDM4EALDH1A1TDP1DRD2MEN1 | |
| SCHEMBL1491175 | 0.83 | HTR1A (0.71) | KDM4EALDH1A1TDP1DRD2MEN1 | |
| Hydrochloric Acid SCHEMBL8980592 | 0.82 | DRD2 (0.57) | KDM4EALDH1A1TDP1DRD2MEN1 | |
| SCHEMBL6526368 | 0.82 | DRD2 (0.85) | ALDH1A1DRD2MEN1KMT2AHTR2A | |
| Hydrochloric Acid SCHEMBL19580054 | 0.82 | SLC6A2 (0.62) | KDM4EALDH1A1TDP1DRD2HTR2A | |
| SCHEMBL5654884 | 0.81 | DRD2 (0.61) | KDM4EALDH1A1TDP1DRD2MEN1 | |
| SCHEMBL11030623 | 0.81 | HTR1A (0.73) | KDM4EALDH1A1TDP1DRD2MEN1 | |
| SCHEMBL8980634 | 0.81 | HTR7 (0.67) | KDM4EALDH1A1TDP1DRD2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711757-A1 | 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists | F. Hoffmann-La Roche AG (CH) | 1996-05-15 | — | — | EP | disclosed |