Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.35 |
| ▸ | CASP7 | P55210 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5330907 | 0.76 | CETP (0.49) | ADRB1CETPACHEROCK2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8880842 | 0.74 | CETP (0.52) | ADRB1CETPACHEROCK2ALDH1A1 | |
| SCHEMBL8983629 | 0.72 | ADRB1 (0.52) | ADRB1CETPACHEROCK2ALDH1A1 | |
| Lesopitron SCHEMBL246589 | 0.70 | HTR1A (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5758330 | 0.70 | ADRB1 (0.59) | ADRB1ACHEROCK2ALDH1A1KDM4E | |
| Lesopitron SCHEMBL1822413 | 0.69 | HTR1A (0.51) | ALDH1A1KDM4E | |
| Lesopitron SCHEMBL9201343 | 0.69 | HTR1A (0.51) | ALDH1A1KDM4E | |
| SCHEMBL13361845 | 0.69 | ADRB1 (0.59) | ADRB1ACHEROCK2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL4815955 | 0.68 | ALDH1A1 (0.59) | ADRB1ACHEROCK2ALDH1A1KDM4E | |
| SCHEMBL9114880 | 0.67 | SLC6A2 (0.34) | ROCK2ALDH1A1KDM4ECYP2D6ROCK1 |
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-0624585-B1 | Process for the preparation of 2-(4-(4-(4-chloro-1-pyrazolyl)butyl)1-piperazinyl)pyrimidine | ESTEVE LABOR DR (ES) | 1999-08-18 | — | — | EP | disclosed |
| EP-0624585-A1 | Process for the preparation of 2-(4-(4-(4-chloro-1-pyrazolyl)butyl)1-piperazinyl)pyrimidine | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1994-11-17 | — | — | EP | disclosed |